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1,3,5-Cycloheptatriene, 2,4-dihexyl-7,7-dimethyl-

View entire compound with spectra: 2 MS (GC)

1,3,5-Cycloheptatriene, 2,4-dihexyl-7,7-dimethyl-
SpectraBase Compound ID JuCCRD4FpSU
InChI InChI=1S/C21H36/c1-5-7-9-11-13-19-15-16-21(3,4)18-20(17-19)14-12-10-8-6-2/h15-18H,5-14H2,1-4H3
InChIKey HNSWCSHVNGCNCX-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 EW3KY2FVmQP
Name 1,3,5-Cycloheptatriene, 2,4-dihexyl-7,7-dimethyl-
Alternate Name(s) 2,4-Dihexyl-7,7-dimethyl-1,3,5-cycloheptatriene 2,4-Dihexyl-7,7-dimethyl-cyclohepta-1,3,5-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36
InChI InChI=1S/C21H36/c1-5-7-9-11-13-19-15-16-21(3,4)18-20(17-19)14-12-10-8-6-2/h15-18H,5-14H2,1-4H3
InChIKey HNSWCSHVNGCNCX-UHFFFAOYSA-N
Molecular Weight 288.519 g/mol
SMILES C(C1=CC(=CC(C)(C)C=C1)CCCCCC)CCCCC
SPLASH splash10-0udl-8690000000-ee28c85acb9cc3af6cd3
Wiley ID 1493975