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1-Butanone, 1-(1-cyclohexen-1-yl)-4-(phenylthio)-
SpectraBase Compound ID 2Qw7SvXrg6O
InChI InChI=1S/C16H20OS/c17-16(14-8-3-1-4-9-14)12-7-13-18-15-10-5-2-6-11-15/h2,5-6,8,10-11H,1,3-4,7,9,12-13H2
InChIKey YSFNSJYJZQKEAC-UHFFFAOYSA-N
Mol Weight 260.39 g/mol
Molecular Formula C16H20OS
Exact Mass 260.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPPavs7g7q9
Name 1-Butanone, 1-(1-cyclohexen-1-yl)-4-(phenylthio)-
CAS Registry Number 98678-10-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c17-16(14-8-3-1-4-9-14)12-7-13-18-15-10-5-2-6-11-15/h2,5-6,8,10-11H,1,3-4,7,9,12-13H2
InChIKey YSFNSJYJZQKEAC-UHFFFAOYSA-N
Molecular Weight 260.395 g/mol
SMILES C1(C(=O)CCCSc2ccccc2)=CCCCC1
SPLASH splash10-0f79-0900000000-6e30218de90c91f266bd
Source of Spectrum J-55-3964-7
Synonyms 1-(1-cyclohexen-1-yl)-4-(phenylsulfanyl)-1-butanone 1-(1-Cyclohexenyl)-4-(phenylthio)-1-butanone
Wiley ID 1263963