TETRACYCLO[6.1.0.0E2,4.0E5,7]NONANE, 3,3,6,6,9,9-HEXAPHENYL-, cis,cis,trans

SpectraBase Compound ID	5jvi7PjYD16
InChI	InChI=1S/C32H28.C13H12/c1-5-13-23(14-6-1)31(24-15-7-2-8-16-24)27-21-22-28-30(29(27)31)32(28,25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-20,27-30H,21-22H2;1-10H,11H2
InChIKey	BZPCOZIMDOPBKV-UHFFFAOYSA-N Google Search
Mol Weight	580.8 g/mol
Molecular Formula	C45H40
Exact Mass	580.313001 g/mol

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SpectraBase Spectrum ID	D1ZNuOzDD7o
Name	TETRACYCLO[6.1.0.0E2,4.0E5,7]NONANE, 3,3,6,6,9,9-HEXAPHENYL-, cis,cis,trans
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C45H36
InChI	InChI=1S/C32H28.C13H12/c1-5-13-23(14-6-1)31(24-15-7-2-8-16-24)27-21-22-28-30(29(27)31)32(28,25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-20,27-30H,21-22H2;1-10H,11H2
InChIKey	BZPCOZIMDOPBKV-UHFFFAOYSA-N
Instrument Name	311A
Molecular Weight	580.3120
SMILES	C(c1ccccc1)c1ccccc1.C12C(c3ccccc3)(c3ccccc3)C2CCC2C(c3ccccc3)(c3ccccc3)C12
SPLASH	splash10-05o0-1968800000-6c8f2d9b33b25f8aa9e9
Source of Spectrum	Chemical Concepts, A Wiley Division, Weinheim, Germany