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(Trans)-11,12,12A,12B,13,14-hexahydro-12A,12B-diphenyldibenzo[D,D']cyclobuta[1,2-A :4,3-A']dicycloheptene
SpectraBase Compound ID 3X6LeGLpRbI
InChI InChI=1S/C34H28/c1-3-15-29(16-4-1)33-21-19-25-11-7-9-13-27(25)23-31(33)32-24-28-14-10-8-12-26(28)20-22-34(32,33)30-17-5-2-6-18-30/h1-18,23-24H,19-22H2/t33-,34-/m0/s1
InChIKey QMFQCPLIRFXOTJ-HEVIKAOCSA-N
Mol Weight 436.6 g/mol
Molecular Formula C34H28
Exact Mass 436.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qbncVcPkka
Name (trans)-11,12,12a,12b,13,14-hexahydro-12a,12b-diphenyldibenzo[d,d']cyclobuta[1,2-a :4,3-a']dicycloheptene
CAS Registry Number 135042-39-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H28
InChI InChI=1S/C34H28/c1-3-15-29(16-4-1)33-21-19-25-11-7-9-13-27(25)23-31(33)32-24-28-14-10-8-12-26(28)20-22-34(32,33)30-17-5-2-6-18-30/h1-18,23-24H,19-22H2/t33-,34-/m0/s1
InChIKey QMFQCPLIRFXOTJ-HEVIKAOCSA-N
Molecular Weight 436.598 g/mol
SMILES [C@]12([C@@]3(CCc4ccccc4C=C3C2=Cc2ccccc2CC1)c1ccccc1)c1ccccc1
SPLASH splash10-00kr-3241900000-6a4f3165761c9265b82d
Source of Spectrum K-124-2573-8
Synonyms (6aS,6bS)-6a,6b-diphenyl-5,6,6a,6b,7,8-hexahydrobenzo[a]benzo[4',5']cyclohepta[1',2':3,4]cyclobuta[1,2-d]cycloheptene
Wiley ID 1383712