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4-Cyclohexenyl-4-(phenylsulfanyl)-1-sulfanylbutane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Cyclohexenyl-4-(phenylsulfanyl)-1-sulfanylbutane
SpectraBase Compound ID HLKdfKkQvZf
InChI InChI=1S/C16H22S2/c17-13-7-12-16(14-8-3-1-4-9-14)18-15-10-5-2-6-11-15/h2,5-6,8,10-11,16-17H,1,3-4,7,9,12-13H2
InChIKey LBKHQNICVXWPSK-UHFFFAOYSA-N
Mol Weight 278.47 g/mol
Molecular Formula C16H22S2
Exact Mass 278.116293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KMCb2zC75P
Name 4-Cyclohexenyl-4-(phenylsulfanyl)-1-sulfanylbutane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22S2
InChI InChI=1S/C16H22S2/c17-13-7-12-16(14-8-3-1-4-9-14)18-15-10-5-2-6-11-15/h2,5-6,8,10-11,16-17H,1,3-4,7,9,12-13H2
InChIKey LBKHQNICVXWPSK-UHFFFAOYSA-N
Molecular Weight 278.472 g/mol
SMILES SCCCC(Sc1ccccc1)C1=CCCCC1
SPLASH splash10-029l-8970000000-58a41f59faf81d886c6d
Source of Spectrum KC-0-2789-22
Synonyms 4-(1-cyclohexenyl)-4-(phenylthio)-1-butanethiol 4-(cyclohexen-1-yl)-4-phenylsulfanylbutane-1-thiol 4-(cyclohexen-1-yl)-4-phenylsulfanyl-butane-1-thiol
Wiley ID 829054