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[4-(11'-Mercaptoundecyl)phenyl]-(2''-methylphenyl)-methanone
SpectraBase Compound ID 3NFy4jGctcA
InChI InChI=1S/C25H34OS/c1-21-13-10-11-15-24(21)25(26)23-18-16-22(17-19-23)14-9-7-5-3-2-4-6-8-12-20-27/h10-11,13,15-19,27H,2-9,12,14,20H2,1H3
InChIKey MCHDOYRVMIIEQK-UHFFFAOYSA-N
Mol Weight 382.6 g/mol
Molecular Formula C25H34OS
Exact Mass 382.233037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzzXQaQlvc5
Name [4-(11'-Mercaptoundecyl)phenyl]-(2''-methylphenyl)-methanone
Alternate Name(s) (2-methylphenyl)[4-(11-sulfanylundecyl)phenyl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34OS
InChI InChI=1S/C25H34OS/c1-21-13-10-11-15-24(21)25(26)23-18-16-22(17-19-23)14-9-7-5-3-2-4-6-8-12-20-27/h10-11,13,15-19,27H,2-9,12,14,20H2,1H3
InChIKey MCHDOYRVMIIEQK-UHFFFAOYSA-N
Molecular Weight 382.606 g/mol
SMILES SCCCCCCCCCCCc1ccc(C(c2c(C)cccc2)=O)cc1
SPLASH splash10-0002-3902000000-f2188b96e22cb538c231
Source of Spectrum I-81-491-1
Wiley ID 1517372