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Ethanethioic acid, (phenylthio)-, S-butyl ester
SpectraBase Compound ID 8D7MTfhZ8Al
InChI InChI=1S/C12H16OS2/c1-2-3-9-14-12(13)10-15-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey XCPSUCLXRBPIJL-UHFFFAOYSA-N
Mol Weight 240.38 g/mol
Molecular Formula C12H16OS2
Exact Mass 240.064257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6wkWk979De
Name Ethanethioic acid, (phenylthio)-, S-butyl ester
CAS Registry Number 63006-69-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16OS2
InChI InChI=1S/C12H16OS2/c1-2-3-9-14-12(13)10-15-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey XCPSUCLXRBPIJL-UHFFFAOYSA-N
Molecular Weight 240.379 g/mol
SMILES CCCCSC(CSc1ccccc1)=O
SPLASH splash10-00dl-9610000000-ade03e04114bc98f7168
Source of Spectrum O-11-1265-3
Synonyms S-Butyl (phenylsulfanyl)ethanethioate 2-(Phenylthio)ethanethioic acid S-butyl ester S-butyl 2-phenylsulfanylethanethioate S-n-Butyl (phenylthio)thioacetate
Wiley ID 1242622