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4-PHENYL-4-THIABUTYRIC-ACID
SpectraBase Compound ID 5H7fE3Q7zmL
InChI InChI=1S/C9H10O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey IGPROYLOGZTOAM-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 AFDhtIjiaK1
Name PROPANOIC ACID, 3-(PHENYLTHIO)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H10O2S
InChI InChI=1S/C9H10O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey IGPROYLOGZTOAM-UHFFFAOYSA-N
Molecular Weight 182.0399
SMILES OC(=O)CCSc1ccccc1
SPLASH splash10-03l0-9800000000-b623eb81313d3e1757ed
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany