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1,3,3-trimethyl-2-non-1-enyl-cyclohexene
SpectraBase Compound ID AeQ0sN5oihA
InChI InChI=1S/C18H32/c1-5-6-7-8-9-10-11-14-17-16(2)13-12-15-18(17,3)4/h11,14H,5-10,12-13,15H2,1-4H3
InChIKey PRZMGVGESLKGQR-UHFFFAOYSA-N
Mol Weight 248.5 g/mol
Molecular Formula C18H32
Exact Mass 248.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1leXyFIaki
Name 1,3,3-trimethyl-2-non-1-enyl-cyclohexene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.250401030 u
Formula C18H32
InChI InChI=1S/C18H32/c1-5-6-7-8-9-10-11-14-17-16(2)13-12-15-18(17,3)4/h11,14H,5-10,12-13,15H2,1-4H3
InChIKey PRZMGVGESLKGQR-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701766
Molecular Weight 248.454 g/mol
Quality 232
SMILES C1C(C(=C(CC1)C)C=CCCCCCCC)(C)C
SPLASH splash10-000w-3970000000-70e157247e26ee5a6d79
Sample Comments Mixture of E/Z isomers, E/Z = 66:34
Source of Spectrum K1-2018-1783-43 (DOI: 10.1002/ejoc.201701766)
Wiley ID 1894010