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2-Butanone, 1-(cyclohexylthio)-1-phenyl-
SpectraBase Compound ID 7grDCTPiOZ8
InChI InChI=1S/C16H22OS/c1-2-15(17)16(13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3,5-6,9-10,14,16H,2,4,7-8,11-12H2,1H3
InChIKey IKXXJWUDWXLRBR-UHFFFAOYSA-N
Mol Weight 262.41 g/mol
Molecular Formula C16H22OS
Exact Mass 262.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4FMnSbm4km
Name 2-Butanone, 1-(cyclohexylthio)-1-phenyl-
CAS Registry Number 95110-61-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22OS
InChI InChI=1S/C16H22OS/c1-2-15(17)16(13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h3,5-6,9-10,14,16H,2,4,7-8,11-12H2,1H3
InChIKey IKXXJWUDWXLRBR-UHFFFAOYSA-N
Molecular Weight 262.411 g/mol
SMILES C(SC1CCCCC1)(C(=O)CC)c1ccccc1
SPLASH splash10-05fr-0960000000-feb0c55513fcf3b7e3cc
Source of Spectrum AJ-58-2853-5
Synonyms 1-(cyclohexylsulfanyl)-1-phenyl-2-butanone 1-Cyclohexylthio-1-phenyl-2-butanone
Wiley ID 1266088