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(E)-2,2-Dimethyl-5-(1-phenylsulfanyl-ethyl)-oct-6-en-3-one
SpectraBase Compound ID 8l4V3T9uWhv
InChI InChI=1S/C18H26OS/c1-6-10-15(13-17(19)18(3,4)5)14(2)20-16-11-8-7-9-12-16/h6-12,14-15H,13H2,1-5H3/b10-6+
InChIKey CMVVIEZSZGUWMG-UXBLZVDNSA-N
Mol Weight 290.46 g/mol
Molecular Formula C18H26OS
Exact Mass 290.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ld7yX9WYbdN
Name (E)-2,2-Dimethyl-5-(1-phenylsulfanyl-ethyl)-oct-6-en-3-one
Alternate Name(s) (6E)-2,2-dimethyl-5-[1-(phenylsulfanyl)ethyl]-6-octen-3-one (E)-2,2-Dimethyl-5-[1-(phenylthio)ethyl-6-octen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26OS
InChI InChI=1S/C18H26OS/c1-6-10-15(13-17(19)18(3,4)5)14(2)20-16-11-8-7-9-12-16/h6-12,14-15H,13H2,1-5H3/b10-6+
InChIKey CMVVIEZSZGUWMG-UXBLZVDNSA-N
Molecular Weight 290.465 g/mol
SMILES C(CC(C(Sc1ccccc1)C)\C=C\C)(C(C)(C)C)=O
SPLASH splash10-052r-6900000000-c693905f0be035ce7f76
Source of Spectrum AJ-66-855-14
Wiley ID 771882