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[o-(methylthio)benzoic] acetic acid, ethyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

[o-(methylthio)benzoic] acetic acid, ethyl ester
SpectraBase Compound ID FeFTzofDsOi
InChI InChI=1S/C12H14O3S/c1-3-15-12(14)8-10(13)9-6-4-5-7-11(9)16-2/h4-7H,3,8H2,1-2H3
InChIKey ZPNPVRNEKGHIFQ-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E4ovKbjLO7U
Name [o-(METHYLTHIO)BENZOYL]ACETIC ACID, ETHYL ESTER
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Small amount of enol form present
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-3-15-12(14)8-10(13)9-6-4-5-7-11(9)16-2/h4-7H,3,8H2,1-2H3
InChIKey ZPNPVRNEKGHIFQ-UHFFFAOYSA-N
Molecular Weight 238.31
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20