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3-{(1E)-1-[(4-Methylphenyl)thio]-2-phenyloct-1-enyl}cyclohexanone
SpectraBase Compound ID 34PYRB5IhWe
InChI InChI=1S/C27H34OS/c1-3-4-5-9-15-26(22-11-7-6-8-12-22)27(23-13-10-14-24(28)20-23)29-25-18-16-21(2)17-19-25/h6-8,11-12,16-19,23H,3-5,9-10,13-15,20H2,1-2H3/b27-26+
InChIKey CQISZSDQVHKEMZ-CYYJNZCTSA-N
Mol Weight 406.6 g/mol
Molecular Formula C27H34OS
Exact Mass 406.233037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgQvwurN9hj
Name 3-{(1E)-1-[(4-Methylphenyl)thio]-2-phenyloct-1-enyl}cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34OS
InChI InChI=1S/C27H34OS/c1-3-4-5-9-15-26(22-11-7-6-8-12-22)27(23-13-10-14-24(28)20-23)29-25-18-16-21(2)17-19-25/h6-8,11-12,16-19,23H,3-5,9-10,13-15,20H2,1-2H3/b27-26+
InChIKey CQISZSDQVHKEMZ-CYYJNZCTSA-N
Molecular Weight 406.628 g/mol
SMILES c1(\C(=C/(C2CC(=O)CCC2)Sc2ccc(C)cc2)CCCCCC)ccccc1
SPLASH splash10-0a4i-0001900000-0bba0edc8b1f9536e360
Source of Spectrum F4-43-3460-6n
Wiley ID 1690574