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3-(benzylthio)propionic acid
SpectraBase Compound ID 2N5XWC9K7nX
InChI InChI=1S/C10H12O2S/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)
InChIKey NDBNSZKHDMXOJE-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 F6aWHSd4Qvx
Name Propanoic acid, 3-[(phenylmethyl)thio]-
Alternate Name(s) Propionic acid, 3-(benzylthio)- .beta.-(benzylthio)propionic acid 3-(benzylsulfanyl)propanoic acid 3-(benzylthio)propionic acid 3-(Phenylmethylsulfanyl)propanoic acid 3-(Phenylmethylthio)propanoic acid S-benzyl-.beta.-mercaptopropionic acid
CAS Registry Number 2899-66-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)
InChIKey NDBNSZKHDMXOJE-UHFFFAOYSA-N
Molecular Weight 196.264 g/mol
SMILES OC(CCSCc1ccccc1)=O
SPLASH splash10-0006-9300000000-d642227b67298c02f596
Source of Spectrum AD-0-5582-0
Wiley ID 1192704