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Benzene, [(1,2-dimethyl-2-hepten-4-ynyl)thio]-, (E)-
SpectraBase Compound ID Bl2unUCRAPY
InChI InChI=1S/C15H18S/c1-4-5-7-10-13(2)14(3)16-15-11-8-6-9-12-15/h6,8-12,14H,4H2,1-3H3/b13-10+
InChIKey MFUUYLYECHJVDY-JLHYYAGUSA-N
Mol Weight 230.37 g/mol
Molecular Formula C15H18S
Exact Mass 230.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2ra1YSeHsi
Name Benzene, [(1,2-dimethyl-2-hepten-4-ynyl)thio]-, (E)-
Alternate Name(s) (2E)-1,2-dimethyl-2-hepten-4-ynyl phenyl sulfide 6-Methyl-7-phenylthio-oct-5-en-3-yne {[(2E)-1,2-dimethyl-2-hepten-4-ynyl]sulfanyl}benzene
CAS Registry Number 108378-37-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18S
InChI InChI=1S/C15H18S/c1-4-5-7-10-13(2)14(3)16-15-11-8-6-9-12-15/h6,8-12,14H,4H2,1-3H3/b13-10+
InChIKey MFUUYLYECHJVDY-JLHYYAGUSA-N
Molecular Weight 230.369 g/mol
SMILES C(#CCC)\C=C\(C(Sc1ccccc1)C)C
SPLASH splash10-00di-0930000000-385852fe12f8ef132810
Source of Spectrum KC-1986-1702-53
Wiley ID 1232252