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2,5-Dihexyl-7,7-dimethyl-1,3,5-cycloheptatriene
SpectraBase Compound ID 2iRpPHkgV6P
InChI InChI=1S/C21H36/c1-5-7-9-11-13-19-15-16-20(14-12-10-8-6-2)18-21(3,4)17-19/h15-18H,5-14H2,1-4H3
InChIKey IPWFYLJGVZNXLC-UHFFFAOYSA-N
Mol Weight 288.5 g/mol
Molecular Formula C21H36
Exact Mass 288.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AytK0klvx3L
Name 2,5-Dihexyl-7,7-dimethyl-1,3,5-cycloheptatriene
Alternate Name(s) 1,3,5-Cycloheptatriene, 2,5-dihexyl-7,7-dimethyl- 2,5-Dihexyl-7,7-dimethyl-cyclohepta-1,3,5-triene
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Formula C21H36
InChI InChI=1S/C21H36/c1-5-7-9-11-13-19-15-16-20(14-12-10-8-6-2)18-21(3,4)17-19/h15-18H,5-14H2,1-4H3
InChIKey IPWFYLJGVZNXLC-UHFFFAOYSA-N
Molecular Weight 288.519 g/mol
SMILES C(CCCCC1=CC(C)(C)C=C(C=C1)CCCCCC)C
SPLASH splash10-0udl-7490000000-b5bcf237f2aab15c142d
Wiley ID 1493974