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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 6YRF9Bx0ho5
Name 1,3,5-CYCLOHEPTATRIENE, 2,5-DIHEXYL-7,7-DIMETHYL-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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 288.2808
SMILES C=1C(CCCCCC)=CC(C)(C)C=C(CCCCCC)C1
SPLASH splash10-0udl-7490000000-6d7b259488b3fe032753
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany