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benzenecarbothioic acid S-(cyclohexylthio) ester
SpectraBase Compound ID JFd2zARgCgT
InChI InChI=1S/C13H16OS2/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey DMFBKVGNZIJKDT-UHFFFAOYSA-N
Mol Weight 252.39 g/mol
Molecular Formula C13H16OS2
Exact Mass 252.064257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VNPSiX5J6n
Name benzenecarbothioic acid S-(cyclohexylthio) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS2
InChI InChI=1S/C13H16OS2/c14-13(11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey DMFBKVGNZIJKDT-UHFFFAOYSA-N
Molecular Weight 252.390 g/mol
SMILES C(SSC1CCCCC1)(=O)c1ccccc1
SPLASH splash10-0a4i-2900000000-7d495e34dca209d8b699
Source of Spectrum SO-0-1038-4
Synonyms S-cyclohexylsulfanyl benzenecarbothioate thiobenzoic acid S-(cyclohexylthio) ester
Wiley ID 864433