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3-(Benzoylthio)-2-methylpropanoic acid

View entire compound with spectra: 2 MS (GC)

3-(Benzoylthio)-2-methylpropanoic acid
SpectraBase Compound ID BaXil2nn7Yc
InChI InChI=1S/C11H12O3S/c1-8(10(12)13)7-15-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)
InChIKey BCAYPPFBOJCRPN-UHFFFAOYSA-N
Mol Weight 224.27 g/mol
Molecular Formula C11H12O3S
Exact Mass 224.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lpnbefJAgk
Name 3-(Benzoylthio)-2-methylpropanoic acid
CAS Registry Number 67714-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3S
InChI InChI=1S/C11H12O3S/c1-8(10(12)13)7-15-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)
InChIKey BCAYPPFBOJCRPN-UHFFFAOYSA-N
Molecular Weight 224.274 g/mol
SMILES OC(C(CSC(c1ccccc1)=O)C)=O
SPLASH splash10-0a4i-6900000000-059103d02779b338f618
Synonyms 2-Methyl-3-(phenylcarbonylsulfanyl)propanoic acid 3-(benzoylthio)-2-methyl-propionic acid 3-Benzoylsulfanyl-2-methyl-propanoic acid
Wiley ID 1484857