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2-(Phenylthio)propionic acid
SpectraBase Compound ID Lyfdae6VpJ2
InChI InChI=1S/C9H10O2S/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKey SMVCUJHUXYLBIQ-UHFFFAOYSA-N
Mol Weight 182.24 g/mol
Molecular Formula C9H10O2S
Exact Mass 182.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2l2vnnTozA
Name 2-(Phenylthio)propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O2S
InChI InChI=1S/C9H10O2S/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)
InChIKey SMVCUJHUXYLBIQ-UHFFFAOYSA-N
Molecular Weight 182.237 g/mol
SMILES OC(C(C)Sc1ccccc1)=O
SPLASH splash10-0ufr-9600000000-30530f5e575ca0c9cb60
Source of Spectrum K-2002-308-0
Synonyms 2-(Phenylsulfanyl)propanoic acid 2-(Phenylthio)propanoic acid
Wiley ID 1580699