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4-keto-3-(phenylthio)valeric acid

View entire compound with spectra: 1 MS (GC)

4-keto-3-(phenylthio)valeric acid
SpectraBase Compound ID 6IPoRQylikU
InChI InChI=1S/C11H12O3S/c1-8(12)10(7-11(13)14)15-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)
InChIKey ARCAZHHFWVVKGI-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 6XvwGbu0mY9
Name 4-keto-3-(phenylthio)valeric acid
CAS Registry Number 65263-90-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3S
InChI InChI=1S/C11H12O3S/c1-8(12)10(7-11(13)14)15-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)
InChIKey ARCAZHHFWVVKGI-UHFFFAOYSA-N
Molecular Weight 224.274 g/mol
SMILES OC(CC(Sc1ccccc1)C(=O)C)=O
SPLASH splash10-03di-1910000000-b941629c85481825b297
Source of Spectrum KC-1981-2755-0
Synonyms 4-Oxidanylidene-3-phenylsulfanyl-pentanoic acid 4-Oxo-3-(phenylthio)pentanoic acid 4-Oxo-3-phenylsulfanylpentanoic acid
Wiley ID 1224672