Identification of substituted furyltetrazolyl acetates by means of 13C NMR spectrometry

1984 ◽  
Vol 49 (8) ◽  
pp. 1895-1899 ◽  
Author(s):  
Jan Světlík ◽  
Igor Goljer ◽  
Ľubomír Janda
Keyword(s):  
Chemical Shift ◽  
13C Nmr ◽  
Ring System ◽  
Tetrazole Ring ◽  
Nmr Data ◽  
Nmr Spectrometry ◽  
C Nmr

13C NMR data of a series of 5-[5-(substituted phenyl)-2-furyl]-1- and -2-tetrazolyl acetates are presented. Examination of diagnostic resonances emphasizing particularly those arising from the tetrazole ring system enabled both isomers to be easily distinguished. The chemical shift increment for 5-(2-furyl)-1- and -2-tetrazolyl acetate unit has been deduced.

13C-NMR chemische Verschiebung phenylsubstituierter polycyclischer Kohlenwasserstoffe / 13C-NMR Chemical Shift of Phenylsubstituted Polycyclic Hydrocarbons

1979 ◽  
Vol 34 (11) ◽  
pp. 1334-1343 ◽  
Author(s):  
W. Storek ◽  
J. Sauer ◽  
R. Stößer
Keyword(s):  
Chemical Shift ◽  
13C Nmr ◽  
Nmr Spectra ◽  
Ring Current ◽  
Current Effect ◽  
Nmr Data ◽  
Ring Current Effect ◽  
Anisotropic Contribution ◽  
Chemische Verschiebung ◽  
C Nmr

13C-NMR spectra of tetracene, rubrene, 1,3,5-tri-, penta-, and hexaphenylbenzene are reported. The discussion also includes the already known 13C-NMR data for diphenyl, 9,10-diphenyl-, 9,10-dibenzyl-, and 9,10-dimethyl-anthracene [1] as well as toluene. On the basis of CNDO/2 calculations different influences (diamagnetic and paramagnetic term, anisotropic contribution, ring current effect, geometry) on the chemical shift are analyzed for diphenyl and within the row benzene through tetracene

scholarly journals Structural Investigations of C-Nitrosobenzenes. Part 3.1 Solid-state and Solution 13C NMR Studies, and Crystal Structure of E-(4-CIC6H4NO)2

1999 ◽  
Vol 23 (3) ◽  
pp. 202-203
Author(s):  
Daniel A. Fletcher ◽  
Brian G. Gowenlock ◽  
Keith G. Orrell ◽  
David C. Apperley ◽  
Michael B. Hursthouse ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
13C Nmr ◽  
Nmr Studies ◽  
Structural Investigations ◽  
Nmr Data ◽  
C Nmr

Solid-state and solution 13C NMR data for the monomers and dimers of 3- and 4-substituted nitrosobenzenes, and the crystal structure of E-(4-CIC6H4NO)2 are reported.

scholarly journals The NMR Spin Systems of Scutellaria 8β,13-Epoxy-neo-clerod-3-en-15,16-olides and Revision of 1H and 13C NMR Spectra Reported Data

2020 ◽  
Vol 15 (10) ◽  
pp. 1934578X2093378
Author(s):  
Josep Coll Toledano
Keyword(s):  
13C Nmr ◽  
Nmr Spectra ◽  
Spin Systems ◽  
13C Nmr Spectra ◽  
1H And 13C Nmr ◽  
Nmr Data ◽  
Reported Data ◽  
New Compounds ◽  
C Nmr ◽  
Shielding Effects

The present review of NMR spectroscopic structural elucidation data of new compounds isolated from Scutellaria species is focused on the title compounds, displaying a peculiar 13-spiro feature. It contains a compilation of 1H and 13C NMR data of these diterpenoids grouped by similar substitution patterns. Comparing shielding effects pointed out not only the identity of some compounds (already reported) but also potential misassignments and convenient revisions to get unambiguous structural proposals.

scholarly journals Clerodane Diterpenes from Croton Species: Distribution and a Compilation of their 13C NMR Spectral Data

2006 ◽  
Vol 1 (4) ◽  
pp. 1934578X0600100 ◽  
Author(s):  
Sebastião F. Palmeira Jünior ◽  
Lucia M. Conserva ◽  
José Maria Barbosa Filho
Keyword(s):  
Spectral Data ◽  
Species Distribution ◽  
13C Nmr ◽  
Biological Activities ◽  
Review Of The Literature ◽  
Nmr Data ◽  
Clerodane Diterpenes ◽  
C Nmr

The present work is a review of the literature of clerodane diterpenes from Croton species. It contains a compilation of 13C NMR data of 83 of these diterpenoids and their biological activities. This review covers a period from 1969 to October 2005 and 224 references are cited.

15N and 13C nuclear magnetic resonance of deoxydinucleotide monophosphates. II. Protonation of the homo dimers deoxycytidylyl-(3′,5′)-deoxycytidine, thymidylyl-(3′,5′)-thymidine, and deoxyadenylyl-(3′,5′)-deoxyadenosine in dimethyl sulfoxide

1990 ◽  
Vol 68 (11) ◽  
pp. 2033-2038 ◽  
Author(s):  
Giovanna Barbarella ◽  
Massimo Luigi Capobianco ◽  
Luisa Tondelli ◽  
Vitaliano Tugnoli
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shift ◽  
Dimethyl Sulfoxide ◽  
Phosphate Group ◽  
Nmr Data ◽  
13C Nuclear Magnetic Resonance ◽  
C Nmr ◽  
Nuclear Magnetic

The preferential protonation sites of the homo dimers deoxycytidylyl-(3′,5′)-deoxycytidine, thymidylyl-(3′,5′)-thymidine, and deoxyadenylyl-(3′,5′)-deoxyadenosine were established by nitrogen-15 and carbon-13 NMR in dimethyl sulfoxide, in the presence of varying amounts of CF3COOH. The nitrogen-15 NMR data show that in d(CpC) the capability of the two N3 nitrogens to accept the proton is slightly different. In d(TpT) and d(ApA) the protonation of the phosphate group leads to significant variations of the chemical shift of the carbons adjacent to phosphorus. Keywords: deoxydinucleotides, protonation, 15N and 13C NMR.

Caerulomycin D, a novel glycosidic derivative of 3,4-dihydroxy-2,2′-dipyridyl 6-aldoxime from Streptomyces caeruleus

1978 ◽  
Vol 56 (13) ◽  
pp. 1836-1842 ◽  
Author(s):  
A. Gavin McInnes ◽  
Donald G. Smith ◽  
John A. Walter ◽  
Jeffrey L. C. Wright ◽  
Leo C. Vining ◽  
...  
Keyword(s):  
Ring System ◽  
Nmr Spectrometry ◽  
C Nmr

Analysis by 1H and 13C nmr spectrometry showed that caerulomycin D, a new metabolite isolated from S. caeruleus, possessed a novel ring system and had the structure (2S,3R,4R,4aS,10aS)-3,4,4a,10a-tetrahydro-4-hydroxy-3,4a-diniethoxy-2-methyl-9-(2-pyridyl)-2H-pyrano[3′,2′:5,6]-p-dioxino[2,3-c]pyridine-7-carboxaldenyde (E)-oxime.

scholarly journals A permutation approach to the assignment of the configuration to diastereomeric tetrads by comparison of experimental and ab initio calculated differences in NMR data

2017 ◽  
Vol 13 ◽  
pp. 2478-2485 ◽  
Author(s):  
Przemysław J Boratyński
Keyword(s):  
Chemical Shift ◽  
Ab Initio ◽  
Nmr Data ◽  
Experimental Chemical Shift ◽  
C Nmr ◽  
Chemical Shift Deviations

Scoring permutations of experimental chemical shift deviations and DFT/GIAO calculated deviations of isotropic shieldings for sets of four diastereomers can help to assign their relative configurations. This method was exercised on a set of diastereomeric Cinchona alkaloid derivatives, where 13C NMR data always identified the proper configuration. The presented approach is also an attempt to quantify the assignment by exclusion.

Carbon-13 nuclear magnetic resonance spectra of organic sulfur compounds. Substituent chemical shift (s.c.s.) effects in the 4-thiazoline-2-thione series

1976 ◽  
Vol 54 (10) ◽  
pp. 1660-1664 ◽  
Author(s):  
I. W. J. Still ◽  
N. Plavac ◽  
D. M. McKinnon ◽  
M. S. Chauhan
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shift ◽  
Sulfur Compounds ◽  
Organic Sulfur ◽  
Organic Sulfur Compounds ◽  
Nmr Data ◽  
Nuclear Magnetic Resonance Spectra ◽  
C Nmr ◽  
Magnetic Resonance Spectra

13C nmr data have been obtained for a series of 4-thiazoline-2-thiones. Substituent chemical shift (s.c.s.) effects for methyl and phenyl substitution have been collated and are discussed in comparison with s.c.s. effects in other heterocyclic systems. Some attempt has also been made to compare our data with those reported previously for the thiazoles and for some thiones in the isothiazole series.

scholarly journals Configurational Study of Diastereoisomeric Royleanone Diterpenoids From Salvia concolor

2019 ◽  
Vol 14 (7) ◽  
pp. 1934578X1986265
Author(s):  
Mónica Díaz-Fernández ◽  
María I. Salazar ◽  
Pedro Joseph-Nathan ◽  
Eleuterio Burgueño-Tapia
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shift ◽  
Absolute Configuration ◽  
Vibrational Circular Dichroism ◽  
Chemical Shift Assignments ◽  
Aerial Parts ◽  
Nmr Data ◽  
Nmr Chemical Shift Assignments ◽  
C Nmr

The known diterpenoids horminone (1) and taxoquinone (2) as a mixture, and pure 6,7-dehydroroyleanone (7) were isolated from the aerial parts of not yet studied Salvia concolor Lamb. Although 1 and 2 are known, the 1H Nuclear Magnetic Resonance (NMR) data of their acetyl derivatives 4 to 6 are only partially described. Moreover, the 13C NMR data assignments for 4 and 6 show some inconsistencies and reveal better agreement with those we obtained for diastereoisomeric 3 and 5. Since stereochemical aspects were in doubt, it was considered as mandatory to unambiguously determine the absolute configuration of 3 to 6 using vibrational circular dichroism spectroscopy, which then allowed the complete 1H and 13C NMR chemical shift assignments of 4 to 6.

11B- und 13C-NMR-Spektroskopie von nido-Hexaalkyl-2.3.4.5-tetracarbahexaboranen(6) / 11B- und 13C-NMR Spectroscopy of nido-Hexaalkyl-2,3,4,5-tetracarbahexaboranes(6)

1982 ◽  
Vol 37 (4) ◽  
pp. 412-419 ◽  
Author(s):  
Bernd Wrackmeyer
Keyword(s):  
Nmr Spectroscopy ◽  
13C Nmr ◽  
13C Nmr Spectroscopy ◽  
Coupling Constants ◽  
Triple Resonance ◽  
Triple Resonance Experiments ◽  
Nmr Data ◽  
Nuclear Shielding ◽  
C Nmr

11B and 13C NMR data of peralkylated nido-2,3,4,5-tetracarbahexaboranes(6) are reported. Application of selective heteronuclear triple resonance experiments 13C{1H,11B} enables to assign the structures of various isomers. The magnitude of the coupling constants 1J(11B11B), 1J(13C11B) and 1J(13C13C) is in accord with expectations based on the conception of bonding in carboranes. The comparison of δ11B and δ13C data of the nido- 2,3,4,5-tetracarboranes(6) with δ13C-data of corresponding non-classical carbocations shows the influence of charge upon the nuclear shielding of carbon in the latter.

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