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4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-butyne
SpectraBase Compound ID 2tKgYEMOPgm
InChI InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h1H,6-10H2,2-4H3
InChIKey JBRYNRSTIDOSFA-UHFFFAOYSA-N
Mol Weight 176.3 g/mol
Molecular Formula C13H20
Exact Mass 176.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTMsjSaeP9J
Name 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-butyne
Alternate Name(s) 2-(3-butynyl)-1,3,3-trimethyl-1-cyclohexene 2-But-3-ynyl-1,3,3-trimethylcyclohexene
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Formula C13H20
InChI InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h1H,6-10H2,2-4H3
InChIKey JBRYNRSTIDOSFA-UHFFFAOYSA-N
Molecular Weight 176.303 g/mol
SMILES C1(=C(CCCC1(C)C)C)CCC#C
SPLASH splash10-014s-7900000000-f2e2c28b0272e5d0f028
Source of Spectrum F-50-8800-11
Wiley ID 1172924