119Sn, 13C and 1H NMR Spectra of Tris(1-butyl)stannyl D-Glucuronate

1997 ◽  
Vol 62 (8) ◽  
pp. 1169-1176 ◽  
Author(s):  
Antonín Lyčka ◽  
Jaroslav Holeček ◽  
David Micák
Keyword(s):  
Chemical Shift ◽  
Carbonyl Group ◽  
1H Nmr ◽  
Equatorial Plane ◽  
Title Compound ◽  
Nmr Spectra ◽  
Hydroxyl Groups ◽  
Carboxylic Group ◽  
H Nmr ◽  
Oxygen Atoms

The 119Sn, 13C and 1H NMR spectra of tris(1-butyl)stannyl D-glucuronate have been measured in hexadeuteriodimethyl sulfoxide, tetradeuteriomethanol and deuteriochloroform. The chemical shift values have been assigned unambiguously with the help of H,H-COSY, TOCSY, H,C-COSY and 1H-13C HMQC-RELAY. From the analysis of parameters of 119Sn, 13C and 1H NMR spectra of the title compound and their comparison with the corresponding spectra of tris(1-butyl)stannyl acetate and other carboxylates it follows that in solutions of non-coordinating solvents (deuteriochloroform) the title compound is present in the form of more or less isolated individual molecules with pseudotetrahedral environment around the central tin atom and with monodentately bound carboxylic group. The interaction of tin atom with oxygen atoms of carbonyl group and hydroxyl groups of the saccharide residue - if they are present at all - are very weak. In solutions in coordinating solvents (hexadeuteriodimethyl sulfoxide or tetradeuteriomethanol), the title compound forms complexes with one molecule of the solvent. Particles of these complexes have a shape of trigonal bipyramid with the 1-butyl substituents in equatorial plane and the oxygen atoms of monodentate carboxylic group and coordinating solvent in axial positions.

scholarly journals Diagnostically analyzing 1H NMR spectra of sub-types in chaetoglobosins for dereplication

RSC Advances ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 1946-1955 ◽  
Author(s):  
Chen Lin ◽  
Jian-chun Qin ◽  
Yong-gang Zhang ◽  
Gang Ding
Keyword(s):  
Chemical Shift ◽  
1H Nmr ◽  
Nmr Spectra ◽  
Diagnostic Information ◽  
1H Nmr Spectra ◽  
Coupling Constants ◽  
H Nmr

1H-NMR spectra provide abundant diagnostic information including chemical shift values, splitting patterns, coupling constants, and integrals.

Introducing a novel procedure for peak alignment in one-dimensional 1H-NMR spectroscopy: a prerequisite for chemometric analyses of wine samples

2020 ◽  
Vol 12 (28) ◽  
pp. 3626-3636
Author(s):  
Keshav Kumar ◽  
Ralf Schweiggert ◽  
Claus-Dieter Patz
Keyword(s):  
Nmr Spectroscopy ◽  
Chemical Shift ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Current Work ◽  
Peak Alignment ◽  
One Dimensional ◽  
H Nmr

In the current work, a novel procedure for correcting the peak drifts of 1H-NMR was introduced that involved mapping NMR spectra on a common chemical shift axis followed by interval-wisely applying the correlation optimized warping (COW) algorithm.

Preparation of (20E)-21-Ethoxycarbonyl-14β,17α-pregna-5,20-dien-3β-yl Hydrogen Butanedioate

1995 ◽  
Vol 60 (4) ◽  
pp. 715-718 ◽  
Author(s):  
Vladimír Pouzar ◽  
Ivan Černý
Keyword(s):  
Title Compound ◽  
Nmr Spectra ◽  
Total Yield ◽  
Reaction Sequence ◽  
Pregnane Series ◽  
H Nmr

The title compound X was prepared according to the recently published procedure for preparation of analogous derivatives in the 5β-pregnane series, using the reaction sequence I -> II -> III -> IV -> V -> VI -> VII -> VII -> IX -> X (total yield 18%). The configuration at ring D centers (14β,17α) follows from the structure of the starting ketone I and was also checked by comparing diol IV with the sample prepared by an independent route. The epimeric purity at C-17 was carefully monitored during the whole synthesis by 1H NMR spectra (singlet of 18-H3).

A 15N, 13C, and 1H NMR study of reaction products from arylguanidines and chloroformate esters

1991 ◽  
Vol 56 (7) ◽  
pp. 1505-1511 ◽  
Author(s):  
Antonín Lyčka ◽  
Karel Palát
Keyword(s):  
1H Nmr ◽  
Nmr Spectra ◽  
Reaction Products ◽  
H Nmr ◽  
Nmr Study

The 15N, 13C, and 1H NMR spectra of the reaction products from arylguanidines with two mols of chloroformate esters have been measured. With application of the corresponding 15N isotopomer it has been proved that the reaction products have the structures IIIa-IIIc.

scholarly journals 13C and 1H NMR Spectra of Synthetic (25R)-5α-Spirostanes

1999 ◽  
Vol 23 (1) ◽  
pp. 48-49
Author(s):  
Martín A. Iglesias Arteaga ◽  
Carlos S. Pérez Martinez ◽  
Roxana Pérez Gil ◽  
Francisco Coll Manchado
Keyword(s):  
1H Nmr ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
1H Nmr Spectra ◽  
H Nmr ◽  
C 23 ◽  
Main Effects ◽  
Nmr Signals

The assignment of 13C and 1H NMR signals of synthetic (25 R)-5α-spirostanes is presented; the main effects on chemical shifts due to substitution at C-23 are briefly discussed.

Zuordnung der 1H-NMR-Spektren von Depsiden, Depsidonen, Depsonen und Dibenzofuranen aus Flechten durch NOE-Differenzspektroskopie / Assignment of 1H NMR Spectra of Depsides, Depsidones, Depsones and Dibenzofurans from Lichens by NOE Difference Spectroscopy

1989 ◽  
Vol 44 (9) ◽  
pp. 1117-1123 ◽  
Author(s):  
Jasmin Jakupovic ◽  
Siegfried Huneck
Keyword(s):  
Methyl Ester ◽  
1H Nmr ◽  
Nmr Spectra ◽  
Usnic Acid ◽  
Acid Methyl Ester ◽  
Difference Spectroscopy ◽  
H Nmr ◽  
Acid Methyl ◽  
Lichen Substances ◽  
Noe Difference Spectroscopy

The 1H NMR spectra of the following lichen substances have been correlated by NOE difference spectroscopy: atranorin, barbatic acid, diffractaic acid, nephroarctin, perlatolic acid, planaic acid methyl ester, pseudocyphellarin A, sphaerophorin (depsides), hypoprotocetraric acid, lobaric acid, pannarin, physodalic acid, psoromic acid, stictic acid (depsidones), picrolichenic acid (depsone), di-O-methyl-pannaric acid dimethylester, pannaric acid, porphyrilic acid, schizopeltic acid, strepsilin, and usnic acid (dibenzofurans).

scholarly journals Assessment of 1H NMR Spectroscopy for Specific Metabolite Fingerprinting of Angelica sinensis

2008 ◽  
Vol 3 (5) ◽  
pp. 1934578X0800300
Author(s):  
Dongmin Su ◽  
Jinglan Han ◽  
Shishan Yu ◽  
Hailin Qin
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Authentic Sample ◽  
Angelica Sinensis ◽  
Metabolite Fingerprinting ◽  
H Nmr ◽  
Pure Compounds ◽  
Polar Extracts

The 1H NMR fingerprints of fractionated non-polar extracts (CSPD A) from the roots of Angelica sinensis of six different specimens were assigned by comparison with the 1H NMR spectra of the isolated pure compounds. The 1H NMR fingerprints showed exclusively characteristic resonance signals of the major constituents of the plant. The 1H NMR fingerprint established for an authentic sample of A. sinensis can be used for authenticating A. sinensis species.

Das 7,8-Benzo-5-chloro-1,4,4-trimethyl-1-aza-4-azonia-6,9-dioxa-5 λ5-phosphaspiro[4.4]nonanyl-Kation: Röntgenstrukturanalyse und temperaturabhängige 1H-NMR-Spektren: The 7, 8-Benzo-5-chloro-1,4,4-trimethyl-1-aza-4-azonia-6,9-dioxa-5 λ).5-phosphaspiro[4.4]nonanyl Cation: X-Ray Crystal Structure Determination and Variable 1H NMR Spectra

1992 ◽  
Vol 47 (6) ◽  
pp. 755-759 ◽  
Author(s):  
Thomas Kaukorat ◽  
Peter G. Jones ◽  
Reinhard Schmutzler
Keyword(s):  
Crystal Structure ◽  
1H Nmr ◽  
Nmr Spectra ◽  
Crystal Structure Analysis ◽  
Acceptor Interaction ◽  
Nmr Spectrum ◽  
X Ray ◽  
H Nmr ◽  
Trigonal Bipyramidal ◽  
Donor Acceptor

The 1H NMR spectrum of the spirophosphorane 3 at room temperature indicates dynamic behaviour of the cation. The low-temperature 1H NMR spectra of 3 exhibit two sets of doublets for the protons of the diastereotopic N(CH3)2 groups. The free enthalpy of activation for the dynamic process was determined (58.6 KJ/mole). In the reaction of 3 with sodium tetraphenylborate the crystalline compound, 4, involving the non-coordinating anion, [B(C6H5)4]-, was obtained. The X-ray crystal structure analysis of 4 reveals the presence of a five-membered ring, formally as a result of intramolecular donor-acceptor interaction between the nitrogen atom of the N(CH3)2 group and phosphorus. The geometry at phosphorus deviates somewhat from ideal trigonal bipyramidal.

scholarly journals Crystal structure and solvent-dependent behaviours of 3-amino-1,6-diethyl-2,5,7-trimethyl-4,4-diphenyl-3a,4a-diaza-4-bora-s-indacene

2017 ◽  
Vol 73 (3) ◽  
pp. 378-382
Author(s):  
Lijing Yang ◽  
Brett Drew ◽  
Ravi Shekar Yalagala ◽  
Rameez Chaviwala ◽  
Razvan Simionescu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Fluorescence Spectroscopy ◽  
Title Compound ◽  
Nmr Spectra ◽  
Membered Ring ◽  
The Other ◽  
Time Dependent ◽  
H Nmr ◽  
The Mean ◽  
Over Time

In the title compound (3-amino-4,4-diphenyl-BODIPY), C28H32BN3, the central six-membered ring has a flattened sofa conformation, with one of the N atoms deviating by 0.142 (4) Å from the mean plane of the other five atoms, which have an r.m.s. deviation of 0.015 Å. The dihedral angle between the two essentially planar outer five-membered rings is 8.0 (2)°. In the crystal, molecules are linkedviaweak N—H...π interactions, forming chains along [010]. The compound displays solvent-dependent behaviours in both NMR and fluorescence spectroscopy. In the1H NMR spectra, the aliphatic resonance signals virtually coalesce in solvents such as chloroform, dichloromethane and dibromoethane; however, they are fully resolved in solvents such as dimethyl sulfoxide (DMSO), methanol and toluene. The excitation and fluorescence intensities in chloroform decreased significantly over time, while in DMSO the decrease is not so profound. In toluene, the excitation and fluorescent intensities are not time-dependent. This behaviour is presumably attributed to the assembly of 3-amino-4,4-diphenyl-BODIPY in solution that leads to the formation of noncovalent structures, while in polar or aromatic solvents, the formation of these assemblies is disrupted, leading to resolution of signals in the NMR spectra.

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