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3-(phenylthio)propionic acid, methyl ester
SpectraBase Compound ID 5kxP9C0HMuQ
InChI InChI=1S/C10H12O2S/c1-12-10(11)7-8-13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey QWFLXSYICHFNBN-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 9lLtcFgdUtw
Name Propanoic acid, 3-(phenylthio)-, methyl ester
CAS Registry Number 22198-59-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c1-12-10(11)7-8-13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey QWFLXSYICHFNBN-UHFFFAOYSA-N
Molecular Weight 196.264 g/mol
SMILES C(CC(=O)OC)Sc1ccccc1
SPLASH splash10-0002-6900000000-b7e42eb97896027beee4
Source of Spectrum H-85-3277-3
Synonyms 3-(Phenylthio)propanoic acid methyl ester 3-(Phenylthio)propionic acid methyl ester Methyl 3-(phenylthio)propanoate Methyl 3-phenylsulfanylpropanoate
Wiley ID 1524989