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(benzylthio)acetic acid, methyl ester

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

(benzylthio)acetic acid, methyl ester
SpectraBase Compound ID CktQYkAAtsR
InChI InChI=1S/C10H12O2S/c1-12-10(11)8-13-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey QQDHRVYAGDFBOI-UHFFFAOYSA-N
Mol Weight 196.26 g/mol
Molecular Formula C10H12O2S
Exact Mass 196.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Pi3VUcNfc
Name Methyl 2-(benzylthio)acetate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c1-12-10(11)8-13-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey QQDHRVYAGDFBOI-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MSQP2010
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.17.24
Molecular Weight 196.264 g/mol
Reported Formula C10H12O2S
SMILES c1cccc(c1)CSCC(OC)=O
SPLASH splash10-006x-9700000000-8d02f4c3cb0fbd0cc6d7
Source of Spectrum BJO-17-SM5-3k
Wiley ID 1858434