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4-(butylthio)-1-phenyl-1-octanone
SpectraBase Compound ID 9cp30NrhYoe
InChI InChI=1S/C18H28OS/c1-3-5-12-17(20-15-6-4-2)13-14-18(19)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15H2,1-2H3
InChIKey GLQVFDAPLNNREB-UHFFFAOYSA-N
Mol Weight 292.48 g/mol
Molecular Formula C18H28OS
Exact Mass 292.186087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNz5PeLYBv8
Name 4-(butylthio)-1-phenyl-1-octanone
Alternate Name(s) 4-(butylthio)-1-phenyl-octan-1-one 4-Butylsulfanyl-1-phenyl-octan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28OS
InChI InChI=1S/C18H28OS/c1-3-5-12-17(20-15-6-4-2)13-14-18(19)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15H2,1-2H3
InChIKey GLQVFDAPLNNREB-UHFFFAOYSA-N
Molecular Weight 292.481 g/mol
SMILES C(=O)(CCC(SCCCC)CCCC)c1ccccc1
SPLASH splash10-066r-0900000000-ff2501e74853025b79d2
Source of Spectrum J-58-2684-4
Wiley ID 1295708