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Benzoic acid, 2-(methylthio)-, methyl ester

View entire compound with spectra: 3 NMR, 2 FTIR, and 7 MS (GC)

Benzoic acid, 2-(methylthio)-, methyl ester
SpectraBase Compound ID 8xfpeofpmN
InChI InChI=1S/C9H10O2S/c1-11-9(10)7-5-3-4-6-8(7)12-2/h3-6H,1-2H3
InChIKey CPQDZXPLQXZJGF-UHFFFAOYSA-N
Mol Weight 182.24 g/mol
Molecular Formula C9H10O2S
Exact Mass 182.040151 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3V0f6XaqjzY
Name Methyl 2-(methylthio)benzoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 452408
CAS Registry Number 3704-28-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O2S
InChI InChI=1S/C9H10O2S/c1-11-9(10)7-5-3-4-6-8(7)12-2/h3-6H,1-2H3
InChIKey CPQDZXPLQXZJGF-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Benzoic acid, 2-(methylthio)-, methyl ester Methyl O-methylthiosalicylate
Wiley ID SIAL_1HNMR_009874