Investigation of the migration of the proton in the intramolecular hydrogen bond of ?-dicarbonyl compounds by modelling the 1H and 13C NMR chemical shifts of the limiting structures

N. N. Shapet'ko; Yu. S. Bogachev; S. S. Berestova; V. G. Medvedeva; A. P. Skoldinov; D. N. Shigorin

doi:10.1007/bf00516941

Investigation of the migration of the proton in the intramolecular hydrogen bond of ?-dicarbonyl compounds by modelling the 1H and 13C NMR chemical shifts of the limiting structures

Theoretical and Experimental Chemistry ◽

10.1007/bf00516941 ◽

1981 ◽

Vol 17 (2) ◽

pp. 146-154

Author(s):

N. N. Shapet'ko ◽

Yu. S. Bogachev ◽

S. S. Berestova ◽

V. G. Medvedeva ◽

A. P. Skoldinov ◽

...

Keyword(s):

Hydrogen Bond ◽

Intramolecular Hydrogen Bond ◽

13C Nmr ◽

Chemical Shifts ◽

Dicarbonyl Compounds ◽

1H And 13C Nmr ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts ◽

Intramolecular Hydrogen

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Intramolecular hydrogen bonding and tautomerism of acylpyran-2,4-diones, -2,4,6-triones and acylpyridinediones and benzannelated derivatives. Deuterium isotope effects on 13C NMR chemical shifts

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29950001901 ◽

1995 ◽

pp. 1901 ◽

Cited By ~ 22

Author(s):

Poul Erik Hansen ◽

Simon Bolvig ◽

Thomas Kappe

Keyword(s):

Hydrogen Bonding ◽

13C Nmr ◽

Chemical Shifts ◽

Isotope Effects ◽

Intramolecular Hydrogen Bonding ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts ◽

Deuterium Isotope Effects ◽

Intramolecular Hydrogen

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Determination of second-order association constants by global analysis of 1H and 13C NMR chemical shifts.

Steroids ◽

10.1016/s0039-128x(02)00114-9 ◽

2003 ◽

Vol 68 (1) ◽

pp. 43-53 ◽

Cited By ~ 22

Author(s):

Wajih Al-Soufi ◽

Pedro Ramos Cabrer ◽

Aida Jover ◽

Rosane M. Budal ◽

José Vázquez Tato

Keyword(s):

13C Nmr ◽

Chemical Shifts ◽

Global Analysis ◽

Association Constants ◽

Second Order ◽

1H And 13C Nmr ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts

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Assignment of 1H and 13C NMR chemical shifts of a d-mannan composed of α-(1 → 2) and α-(1 → 6) linkages obtained from Candida kefyr IFO 0586 strain

Carbohydrate Research ◽

10.1016/0008-6215(94)00299-u ◽

1995 ◽

Vol 267 (2) ◽

pp. 299-306 ◽

Cited By ~ 18

Author(s):

Hidemitsu Kobayashi ◽

Masahiko Watanabe ◽

Mariko Komido ◽

Kyoko Matsuda ◽

Tomoko Ikeda-Hasebe ◽

...

Keyword(s):

13C Nmr ◽

Chemical Shifts ◽

1H And 13C Nmr ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts ◽

Candida Kefyr

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1H And 13C NMR chemical shifts of the diastereotopic methyl groups of valyl and leucyl residues in peptides and proteins

Tetrahedron ◽

10.1016/s0040-4020(01)85464-8 ◽

1990 ◽

Vol 46 (9) ◽

pp. 3287-3296 ◽

Cited By ~ 24

Author(s):

D. Neri ◽

G. Otting ◽

K. Wüthrich

Keyword(s):

13C Nmr ◽

Chemical Shifts ◽

Methyl Groups ◽

1H And 13C Nmr ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts

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DFT study of 17O, 1H and 13C NMR chemical shifts in two forms of native cellulose, I and I

Carbohydrate Research ◽

10.1016/j.carres.2011.10.041 ◽

2012 ◽

Vol 347 (1) ◽

pp. 99-106 ◽

Cited By ~ 10

Author(s):

Mehdi D. Esrafili ◽

Hashem Ahmadin

Keyword(s):

13C Nmr ◽

Chemical Shifts ◽

Dft Study ◽

Cellulose I ◽

1H And 13C Nmr ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts ◽

Native Cellulose

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ChemInform Abstract: Intramolecular Hydrogen Bonding and Tautomerism of Acylpyran-2,4- diones, -2,4,6-triones and Acylpyridinediones and Benzanellated Derivatives. Deuterium Isotope Effects on 13C NMR Chemical Shifts.

ChemInform ◽

10.1002/chin.199604045 ◽

2010 ◽

Vol 27 (4) ◽

pp. no-no

Author(s):

P. E. HANSEN ◽

S. BOLVIG ◽

T. KAPPE

Keyword(s):

Hydrogen Bonding ◽

13C Nmr ◽

Chemical Shifts ◽

Isotope Effects ◽

Intramolecular Hydrogen Bonding ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts ◽

Deuterium Isotope Effects ◽

Intramolecular Hydrogen

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Linear free energy relationships of the 1H and 13C NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones

Journal of Molecular Structure ◽

10.1016/j.molstruc.2008.10.018 ◽

2009 ◽

Vol 920 (1-3) ◽

pp. 90-96 ◽

Cited By ~ 8

Author(s):

Aleksandar D. Marinković ◽

Bratislav Ž. Jovanović ◽

Nina Todorović ◽

Ivan O. Juranić

Keyword(s):

Free Energy ◽

13C Nmr ◽

Chemical Shifts ◽

Linear Free Energy Relationships ◽

1H And 13C Nmr ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts ◽

Linear Free Energy ◽

Energy Relationships

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Studies on ferrocene derivatives. V. 1H- and 13C-NMR chemical shifts of sterically hindered (2-alkylphenyl)ferrocenes.

NIPPON KAGAKU KAISHI ◽

10.1246/nikkashi.1990.279 ◽

1990 ◽

pp. 279-283

Author(s):

Yutaka OKADA ◽

Takatoshi HAYASHI

Keyword(s):

13C Nmr ◽

Chemical Shifts ◽

Ferrocene Derivatives ◽

1H And 13C Nmr ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts ◽

Sterically Hindered

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1H and 13C NMR spectral assignments of an amino acid-coumarin hybrid

Facta universitatis - series Physics Chemistry and Technology ◽

10.2298/fupct1301101d ◽

2013 ◽

Vol 11 (1) ◽

pp. 101-107

Author(s):

Vidoslav Dekic ◽

Biljana Dekic ◽

Niko Radulovic

Keyword(s):

Spectral Analysis ◽

Amino Acid ◽

13C Nmr ◽

Chemical Shifts ◽

1H And 13C Nmr ◽

Nmr Chemical Shifts ◽

13C Nmr Chemical Shifts ◽

Complete Assignment ◽

Acid Derivate ◽

Coumarin Amino Acid

Synthesis and detailed spectral analysis of a new 4-substituted coumarin-amino acid derivate are presented in this paper. A new glycine derivate of (3-nitro-2-oxo-2H-chromen-4-yl)amino]acetate was prepared by condensation of 4-chloro-3-nitrocoumarin and ethyl glycinate hydrochloride. The complete assignment of 1H and 13C NMR chemical shifts of the synthesized compound was carried out by the aid of a combination of 1D (1H and 13C NMR) and 2D (1H-1H-COSY, NOESY, HSQC and HMBC) NMR experiments.

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