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3-(benzylthio)propionic acid methyl ester
SpectraBase Compound ID KcB4I5tnlKF
InChI InChI=1S/C11H14O2S/c1-13-11(12)7-8-14-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey KFRBVHFYLRIKNQ-UHFFFAOYSA-N
Mol Weight 210.29 g/mol
Molecular Formula C11H14O2S
Exact Mass 210.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGP5sARgXu0
Name 3-(benzylthio)propionic acid methyl ester
CAS Registry Number 5331-36-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2S
InChI InChI=1S/C11H14O2S/c1-13-11(12)7-8-14-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey KFRBVHFYLRIKNQ-UHFFFAOYSA-N
Molecular Weight 210.291 g/mol
SMILES C(CCSCc1ccccc1)(=O)OC
SPLASH splash10-0006-9430000000-1d522ff6330eaa3b905e
Source of Spectrum QC-8-696-20
Synonyms Methyl 3-(benzylthio)propanoate 3-(Phenylmethylthio)propanoic acid methyl ester Methyl 3-(benzylsulfanyl)propanoate Methyl 3-(benzylthio)propionate Methyl 3-(phenylmethylsulfanyl)propanoate
Wiley ID 869764