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6-(Benzoylthio)hexanoic acid

View entire compound with spectra: 1 MS (GC)

6-(Benzoylthio)hexanoic acid
SpectraBase Compound ID 10gCadZFvtJ
InChI InChI=1S/C13H16O3S/c14-12(15)9-5-2-6-10-17-13(16)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15)
InChIKey MIDGMJLCXGTRGQ-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kU1wIxxV0f
Name 6-(Benzoylthio)hexanoic acid
Alternate Name(s) 6-(Phenylcarbonylsulfanyl)hexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c14-12(15)9-5-2-6-10-17-13(16)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15)
InChIKey MIDGMJLCXGTRGQ-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES OC(CCCCCSC(=O)c1ccccc1)=O
SPLASH splash10-0a7i-4900000000-25596697ddffc02fd874
Source of Spectrum KC-0-1515-20
Wiley ID 821490