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o-[(cyanomethyl)thio]benzoic acid, methyl ester

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o-[(cyanomethyl)thio]benzoic acid, methyl ester
SpectraBase Compound ID 9zpKYvPKAzl
InChI InChI=1S/C10H9NO2S/c1-13-10(12)8-4-2-3-5-9(8)14-7-6-11/h2-5H,7H2,1H3
InChIKey IZZWSNNLFRAPRY-UHFFFAOYSA-N
Mol Weight 207.25 g/mol
Molecular Formula C10H9NO2S
Exact Mass 207.0354 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ytZxSesrou
Name o-[(cyanomethyl)thio]benzoic acid, methyl ester
Source of Sample R. Dran & T. Prange, Laboratorie De Chimie Organique Ii, Paris, France
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO2S
InChI InChI=1S/C10H9NO2S/c1-13-10(12)8-4-2-3-5-9(8)14-7-6-11/h2-5H,7H2,1H3
InChIKey IZZWSNNLFRAPRY-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 7747M
Solvent DMSO-d6
Synonyms BENZOIC ACID, O-//CYANOMETHYL/- THIO/-, METHYL ESTER