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(phenylmethyl) 3-sulfanylpropanoate
SpectraBase Compound ID L4YfXRbQTaC
InChI InChI=1S/C10H12O2S/c11-10(6-7-13)12-8-9-4-2-1-3-5-9/h1-5,13H,6-8H2
InChIKey DFMOIQHWZVGRSO-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 IuRx767Vl3X
Name (phenylmethyl) 3-sulfanylpropanoate
Alternate Name(s) Benzyl 3-mercaptopropionate 3-Mercaptopropanoic acid (phenylmethyl) ester 3-Mercaptopropionic acid benzyl ester Benzyl 3-sulfanylpropanoate Benzyl 3-mercaptopropanoate
CAS Registry Number 16850-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c11-10(6-7-13)12-8-9-4-2-1-3-5-9/h1-5,13H,6-8H2
InChIKey DFMOIQHWZVGRSO-UHFFFAOYSA-N
Molecular Weight 196.264 g/mol
SMILES SCCC(=O)OCc1ccccc1
SPLASH splash10-0006-9100000000-b788499ea55098b8731c
Source of Spectrum AD-0-2014-0
Wiley ID 1192706