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1,3,5-Cycloheptatriene, 7,7-dimethyl-2,4-diphenyl-
SpectraBase Compound ID 5sN6e2oXOdt
InChI InChI=1S/C21H20/c1-21(2)14-13-19(17-9-5-3-6-10-17)15-20(16-21)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKey JIOPJHJFJQRTCH-UHFFFAOYSA-N
Mol Weight 272.39 g/mol
Molecular Formula C21H20
Exact Mass 272.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMgBXVtdYRc
Name 1,3,5-CYCLOHEPTATRIENE, 7,7-DIMETHYL-2,4-DIPHENYL-
Comments CYCLOHEPTATRIENE-NORCARADIENE EQULIBRIUM, VALENCE ISOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H20
InChI InChI=1S/C21H20/c1-21(2)14-13-19(17-9-5-3-6-10-17)15-20(16-21)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKey JIOPJHJFJQRTCH-UHFFFAOYSA-N
Instrument Name CH7
Molecular Weight 272.1560
SMILES C=1C(C)(C)C=CC(c2ccccc2)=CC1c1ccccc1
SPLASH splash10-0a4i-2590000000-3a5d9bd3f5f98f153a3f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany