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Butanoic acid, 4-[(phenylthioxomethyl)thio]-
SpectraBase Compound ID KiePagAxWw8
InChI InChI=1S/C11H12O2S2/c12-10(13)7-4-8-15-11(14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)
InChIKey QJMYDXDEXVMNKU-UHFFFAOYSA-N
Mol Weight 240.33 g/mol
Molecular Formula C11H12O2S2
Exact Mass 240.027872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrMdZyF5yIB
Name Butanoic acid, 4-[(phenylthioxomethyl)thio]-
CAS Registry Number 56666-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2S2
InChI InChI=1S/C11H12O2S2/c12-10(13)7-4-8-15-11(14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)
InChIKey QJMYDXDEXVMNKU-UHFFFAOYSA-N
Molecular Weight 240.335 g/mol
SMILES OC(CCCSC(=S)c1ccccc1)=O
SPLASH splash10-00di-6900000000-e48799f01bb52b1b86cf
Source of Spectrum EP-7168-0-0
Synonyms 4-(Benzothioylsulfanyl)butanoic acid 4-(benzenecarbonothioylsulfanyl)butanoic acid 4-(benzenecarbonothioylthio)butanoic acid 4-(benzenecarbonothioylthio)butyric acid
Wiley ID 1242501