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4-PHENYL-4-THIABUTYRIC-ACID

View entire compound with spectra: 1 NMR, and 6 MS (GC)

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 B31wZTetMqe
Name 3-[Phenylthio]-propanoic Acid
CAS Registry Number 5219-65-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 182.237 g/mol
SMILES OC(CCSc1ccccc1)=O
SPLASH splash10-03l0-9800000000-25dcee1f9de9a9bf9265
Synonyms 3-(Phenylsulfanyl)propanoic acid 3-(Phenylthio)propanoic Acid 3-(Phenylthio)propionic acid 3-Phenylsulfanylpropanoic acid Propanoic acid, 3-(phenylthio)-
Wiley ID 1487886