Conformational analysis of a seven-membered ring azasugar, (3R,4R,6S)-trihydroxyazepane: Comparison of GIAO calculation and experimental NMR spectra on 13C chemical shifts

Journal of Molecular Structure ◽

10.1016/j.molstruc.2011.08.054 ◽

2012 ◽

Vol 1018 ◽

pp. 64-71 ◽

Cited By ~ 8

Author(s):

Pao-Ling Yeh ◽

Chin-Kuen Tai ◽

Tzenge-Lien Shih ◽

Hui-Ling Hsiao ◽

Bo-Cheng Wang

Keyword(s):

Conformational Analysis ◽

Nmr Spectra ◽

Chemical Shifts ◽

Membered Ring ◽

13C Chemical Shifts

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1 H NMR spectra. Part 29§: proton chemical shifts and couplings in esters-the conformational analysis of methyl γ-butyrolactones

Magnetic Resonance in Chemistry ◽

10.1002/mrc.3896 ◽

2012 ◽

Vol 51 (1) ◽

pp. 9-15 ◽

Cited By ~ 3

Author(s):

Raymond J. Abraham ◽

Paul Leonard

Keyword(s):

Conformational Analysis ◽

Nmr Spectra ◽

Chemical Shifts ◽

H Nmr ◽

Proton Chemical Shifts

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Complete assignments of the 1H and 13C chemical shifts and JH,H coupling constants in NMR spectra of d-glucopyranose and all d-glucopyranosyl-d-glucopyranosides

Carbohydrate Research ◽

10.1016/j.carres.2007.10.008 ◽

2008 ◽

Vol 343 (1) ◽

pp. 101-112 ◽

Cited By ~ 139

Author(s):

Mattias U. Roslund ◽

Petri Tähtinen ◽

Matthias Niemitz ◽

Rainer Sjöholm

Keyword(s):

Nmr Spectra ◽

Chemical Shifts ◽

Coupling Constants ◽

13C Chemical Shifts

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ChemInform Abstract: Substituent Effects in 13C NMR Spectra of Diastereomeric Chalcone Dihalides. Part 8. Investigations of α- and β-Halogen Dihydrochalcones and Calculation of 13C Chemical Shifts of Diastereomeric Chalcone Dihalides and Chalcone Halohydr

ChemInform ◽

10.1002/chin.199001035 ◽

1990 ◽

Vol 21 (1) ◽

Author(s):

F. G. WEBER ◽

R. RADEGLIA

Keyword(s):

13C Nmr ◽

Nmr Spectra ◽

Chemical Shifts ◽

Substituent Effects ◽

13C Nmr Spectra ◽

13C Chemical Shifts

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13C n.m.r. of organosulphur compounds: II—13C chemical shifts and conformational analysis of methyl substituted thiacyclohexanes

Organic Magnetic Resonance ◽

10.1002/mrc.1270080908 ◽

1976 ◽

Vol 8 (9) ◽

pp. 469-476 ◽

Cited By ~ 20

Author(s):

Giovanna Barbarella ◽

Pasquale Dembech ◽

Anna Garbesi ◽

Antonino Fava

Keyword(s):

Conformational Analysis ◽

Chemical Shifts ◽

13C Chemical Shifts

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13C chemical shifts and conformational analysis of methyl substituted thiacyclopentanes

Organic Magnetic Resonance ◽

10.1002/mrc.1270130414 ◽

1980 ◽

Vol 13 (4) ◽

pp. 282-286 ◽

Cited By ~ 14

Author(s):

G. Barbarella ◽

P. Dembech

Keyword(s):

Conformational Analysis ◽

Chemical Shifts ◽

13C Chemical Shifts

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Conformational analysis of ortho-substituted toluenes. The ? effect and 13C chemical shifts

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39750000912 ◽

1975 ◽

pp. 912 ◽

Cited By ~ 6

Author(s):

Harry Pearson

Keyword(s):

Conformational Analysis ◽

Chemical Shifts ◽

13C Chemical Shifts ◽

Substituted Toluenes

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Non-empirical and DFT calculations of 19F and 13C chemical shifts in the NMR spectra of substituted pentafluorobenzenes

Journal of Structural Chemistry ◽

10.1134/s0022476613070196 ◽

2013 ◽

Vol 54 (S1) ◽

pp. 180-185 ◽

Cited By ~ 4

Author(s):

D. S. Fadeev ◽

I. P. Chuikov ◽

V. I. Mamatyuk

Keyword(s):

Dft Calculations ◽

Nmr Spectra ◽

Chemical Shifts ◽

13C Chemical Shifts

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The use of MM/QM calculations of 13C chemical shifts in the conformational analysis of some monosaccharides and sucrose

New Journal of Chemistry ◽

10.1039/d0nj04227g ◽

2020 ◽

Author(s):

Raymond J. Abraham ◽

Mark Ashley Cooper ◽

Matthew - Reid

Keyword(s):

Conformational Analysis ◽

Chemical Shifts ◽

13C Chemical Shifts

The abstract is included in the manuscript,

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13C Chemical shifts which obey the Curie Law in CP/MAS NMR spectra. The first CP/MAS NMR chemical-shift thermometer

Journal of Magnetic Resonance (1969) ◽

10.1016/0022-2364(86)90236-2 ◽

1986 ◽

Vol 69 (1) ◽

pp. 191-195 ◽

Cited By ~ 16

Author(s):

Gordon C Campbell ◽

Richard C Crosby ◽

James F Haw

Keyword(s):

Chemical Shift ◽

Nmr Spectra ◽

Chemical Shifts ◽

Mas Nmr ◽

Nmr Chemical Shift ◽

13C Chemical Shifts ◽

Cp Mas Nmr

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Conformational Analysis. Part XLIII. 13C Chemical Shifts and Coupling Constants as Proof of the Nonplanarity of the 2-Oxo-1,3-dioxolane Ring.

Acta Chemica Scandinavica ◽

10.3891/acta.chem.scand.31b-0899 ◽

1977 ◽

Vol 31b ◽

pp. 899-902 ◽

Cited By ~ 14

Author(s):

Kalevi Pihlaja ◽

Kyllikki Rossi ◽

Thomas Popoff ◽

Olof Theander ◽

L. Nørskov ◽

...

Keyword(s):

Conformational Analysis ◽

Chemical Shifts ◽

Coupling Constants ◽

13C Chemical Shifts

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