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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4htKZvGaDuX
Name o-[(CYANOMETHYL)THIO]BENZOIC ACID, METHYL ESTER
Source of Sample R. Dran & T. Prange, Laboratoire De Chimie Organique Ii, Paris, France
Copyright Copyright © 1980, 1981-2024 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
Melting Point 126C
Molecular Weight 207.25
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, O-//CYANOMETHYL/THIO/-, METHYL ESTER