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Benzene, [[4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]ethynyl]-
SpectraBase Compound ID JBUVBfeYfL5
InChI InChI=1S/C18H22/c1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15/h4-8,11,17H,12-14H2,1-3H3
InChIKey WFGAJPZRTTZAOI-UHFFFAOYSA-N
Mol Weight 238.37 g/mol
Molecular Formula C18H22
Exact Mass 238.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yhaggCLXva
Name Benzene, [[4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]ethynyl]-
Alternate Name(s) 2-(4-tert-butyl-1-cyclohexenyl)ethynylbenzene 2-(4-tert-butylcyclohexen-1-yl)ethynylbenzene [(4-tert-butyl-1-cyclohexen-1-yl)ethynyl]benzene
CAS Registry Number 76794-69-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22
InChI InChI=1S/C18H22/c1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15/h4-8,11,17H,12-14H2,1-3H3
InChIKey WFGAJPZRTTZAOI-UHFFFAOYSA-N
Molecular Weight 238.374 g/mol
SMILES C(#Cc1ccccc1)C1=CCC(C(C)(C)C)CC1
SPLASH splash10-0pb9-5910000000-87d41f23943f8ec42f5d
Source of Spectrum AJ-57-111-0
Wiley ID 1241615