Computer-assisted structure elucidation of organic compounds III: Automatic fragment generation from13C-NMR spectra

Wolfgang Robien

doi:10.1007/bf01207321

Computer-assisted structure elucidation of organic compounds III: Automatic fragment generation from13C-NMR spectra

Microchimica Acta ◽

10.1007/bf01207321 ◽

1986 ◽

Vol 89 (1-6) ◽

pp. 271-279 ◽

Cited By ~ 7

Author(s):

Wolfgang Robien

Keyword(s):

Organic Compounds ◽

Structure Elucidation ◽

Nmr Spectra ◽

Computer Assisted ◽

Computer Assisted Structure Elucidation

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A computer-assisted structure elucidation scheme based upon the pattern of assembly of peaks in carbon-13/ proton NMR spectra

Chemometrics and Intelligent Laboratory Systems ◽

10.1016/0169-7439(87)80056-4 ◽

1989 ◽

Vol 6 (2) ◽

pp. 143-155 ◽

Cited By ~ 1

Author(s):

Masao S. Hashimoto ◽

Yasuko Tanaka ◽

Hitoshi Sasabuchi ◽

Chutetsu F. Hattori

Keyword(s):

Structure Elucidation ◽

Nmr Spectra ◽

Proton Nmr ◽

Computer Assisted ◽

Computer Assisted Structure Elucidation

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Qualitative analysis of carbon-13 NMR spectra by computer-assisted structure elucidation

Chemometrics and Intelligent Laboratory Systems ◽

10.1016/0169-7439(88)80100-x ◽

1988 ◽

Vol 4 (3) ◽

pp. 251-259 ◽

Cited By ~ 2

Author(s):

Masao S. Hashimoto ◽

Yasuko Tanaka ◽

Chutetsu F. Hattori

Keyword(s):

Qualitative Analysis ◽

Structure Elucidation ◽

Nmr Spectra ◽

Computer Assisted ◽

Computer Assisted Structure Elucidation

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Binding of hydrophobic organic compounds to dissolved humic substances: A predictive approach based on computer assisted structure elucidation: Atomistic simulations and flory-huggins solution theory

Humic Substances ◽

10.1039/9781847551085-00221 ◽

2007 ◽

pp. 221-238 ◽

Cited By ~ 3

Author(s):

Mamadou S. Diallo ◽

Jean-Loup Faulon ◽

William A. Goddard ◽

James H. Johnson

Keyword(s):

Humic Substances ◽

Organic Compounds ◽

Structure Elucidation ◽

Atomistic Simulations ◽

Computer Assisted ◽

Solution Theory ◽

Hydrophobic Organic Compounds ◽

Predictive Approach ◽

Dissolved Humic Substances ◽

Computer Assisted Structure Elucidation

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ChemInform Abstract: Computer-Assisted Structure Elucidation for Organic Compounds

ChemInform ◽

10.1002/chin.199345331 ◽

2010 ◽

Vol 24 (45) ◽

pp. no-no

Author(s):

K. FUNATSU

Keyword(s):

Organic Compounds ◽

Structure Elucidation ◽

Computer Assisted ◽

Computer Assisted Structure Elucidation

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Computer Assisted Structure Elucidation: Faster and More Reliable Solutions through Enhanced Data Preparation

Planta Medica ◽

10.1055/s-0033-1348811 ◽

2013 ◽

Vol 79 (10) ◽

Author(s):

S Golotvin ◽

R Pol ◽

M Elyashberg ◽

P Wheeler

Keyword(s):

Structure Elucidation ◽

Computer Assisted ◽

Data Preparation ◽

Computer Assisted Structure Elucidation

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Components for computer-assisted structure elucidation

Chemistry Central Journal ◽

10.1186/1752-153x-3-s1-p62 ◽

2009 ◽

Vol 3 (S1) ◽

Author(s):

S Kuhn ◽

G Torrance ◽

C Steinbeck

Keyword(s):

Structure Elucidation ◽

Computer Assisted ◽

Computer Assisted Structure Elucidation

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Computer-assisted structural analysis of organic compounds from 13C-NMR spectra.

BUNSEKI KAGAKU ◽

10.2116/bunsekikagaku.43.517 ◽

1994 ◽

Vol 43 (7) ◽

pp. 517-524

Author(s):

Keiji SAITO ◽

Yoshiaki ISHIDA ◽

Tokio OOSHIMA

Keyword(s):

Structural Analysis ◽

Organic Compounds ◽

13C Nmr ◽

Nmr Spectra ◽

Computer Assisted ◽

13C Nmr Spectra

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Chapter 9. Application of Computer-assisted Structure Elucidation (CASE) Methods and NMR Prediction to Natural Products

Modern NMR Approaches to the Structure Elucidation of Natural Products : Instrumentation and Software ◽

10.1039/9781849735186-00187 ◽

2015 ◽

pp. 187-243 ◽

Cited By ~ 1

Author(s):

M. E. Elyashberg ◽

Antony J. Williams ◽

K. A. Blinov

Keyword(s):

Natural Products ◽

Structure Elucidation ◽

Computer Assisted ◽

Case Methods ◽

Nmr Prediction ◽

Computer Assisted Structure Elucidation

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The Impact of Long-Range1H-15N Heteronuclear Shift Correlation Data on Computer-Assisted Structure Elucidation: Posaconazole

Journal of Heterocyclic Chemistry ◽

10.1002/jhet.803 ◽

2012 ◽

Vol 49 (3) ◽

pp. 526-532 ◽

Cited By ~ 7

Author(s):

Bruce D. Hilton ◽

Gary E. Martin

Keyword(s):

Structure Elucidation ◽

Computer Assisted ◽

Correlation Data ◽

The Impact ◽

Computer Assisted Structure Elucidation

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ChemInform Abstract: Computer-Assisted Structure Elucidation

ChemInform ◽

10.1002/chin.199238333 ◽

2010 ◽

Vol 23 (38) ◽

pp. no-no

Author(s):

L. CHEN ◽

M. ZHANG

Keyword(s):

Structure Elucidation ◽

Computer Assisted ◽

Computer Assisted Structure Elucidation

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