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7-Cyclohexenyl-7-(phenylsulfanyl)heptan-1-ol
SpectraBase Compound ID Kjf9WsXRxKB
InChI InChI=1S/C19H28OS/c20-16-10-2-1-9-15-19(17-11-5-3-6-12-17)21-18-13-7-4-8-14-18/h4,7-8,11,13-14,19-20H,1-3,5-6,9-10,12,15-16H2
InChIKey KMPIUTGSPNWOPV-UHFFFAOYSA-N
Mol Weight 304.49 g/mol
Molecular Formula C19H28OS
Exact Mass 304.186087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93T5761oDwO
Name 7-Cyclohexenyl-7-(phenylsulfanyl)heptan-1-ol
Alternate Name(s) 7-(1-cyclohexen-1-yl)-7-(phenylsulfanyl)-1-heptanol
Comments Less than 3 mono-isotopic peaks
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Formula C19H28OS
InChI InChI=1S/C19H28OS/c20-16-10-2-1-9-15-19(17-11-5-3-6-12-17)21-18-13-7-4-8-14-18/h4,7-8,11,13-14,19-20H,1-3,5-6,9-10,12,15-16H2
InChIKey KMPIUTGSPNWOPV-UHFFFAOYSA-N
Molecular Weight 304.492 g/mol
SMILES OCCCCCCC(Sc1ccccc1)C1=CCCCC1
SPLASH splash10-0udj-0309000000-563df3c5ab5845629522
Source of Spectrum KC-0-2782-54
Wiley ID 829082