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1-ethenyl-2,5,5-trimethyl-3-(prop-2-ynylthio)cyclohexene
SpectraBase Compound ID EQoWrhYa7zs
InChI InChI=1S/C14H20S/c1-6-8-15-13-10-14(4,5)9-12(7-2)11(13)3/h1,7,13H,2,8-10H2,3-5H3
InChIKey QINQFVYFEGKIJZ-UHFFFAOYSA-N
Mol Weight 220.37 g/mol
Molecular Formula C14H20S
Exact Mass 220.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aQUe77PJBz
Name 1-ethenyl-2,5,5-trimethyl-3-(prop-2-ynylthio)cyclohexene
Alternate Name(s) 1-ethenyl-2,5,5-trimethyl-3-prop-2-ynylsulfanyl-cyclohexene 2,5,5-trimethyl-3-(propargylthio)-1-vinyl-cyclohexene 2,5,5-trimethyl-3-prop-2-ynylsulfanyl-1-vinyl-cyclohexene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20S
InChI InChI=1S/C14H20S/c1-6-8-15-13-10-14(4,5)9-12(7-2)11(13)3/h1,7,13H,2,8-10H2,3-5H3
InChIKey QINQFVYFEGKIJZ-UHFFFAOYSA-N
Molecular Weight 220.374 g/mol
SMILES C1(=C(C(SCC#C)CC(C1)(C)C)C)C=C
SPLASH splash10-0002-0900000000-e7890abcb6158c181639
Source of Spectrum J-59-1630-9
Wiley ID 1220346