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(3S*,3'S*)-(P*, P*)-trans-1,1', 2,2', 3,3', 4,4'-Octahydro-3,3'-diisopropyl-7,7'-dimethyl-4,4'-biphenanthrylidene
SpectraBase Compound ID F2Gb3KKsuf9
InChI InChI=1S/C36H40/c1-21(2)29-17-13-25-9-11-27-19-23(5)7-15-31(27)33(25)35(29)36-30(22(3)4)18-14-26-10-12-28-20-24(6)8-16-32(28)34(26)36/h7-12,15-16,19-22,29-30H,13-14,17-18H2,1-6H3/b36-35+/t29-,30-/m0/s1
InChIKey REPWAPVNWZTWGB-CTHQGUNGSA-N
Mol Weight 472.7 g/mol
Molecular Formula C36H40
Exact Mass 472.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqTkR53y7K5
Name (3S*,3'S*)-(P*, P*)-trans-1,1', 2,2', 3,3', 4,4'-Octahydro-3,3'-diisopropyl-7,7'-dimethyl-4,4'-biphenanthrylidene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H40
InChI InChI=1S/C36H40/c1-21(2)29-17-13-25-9-11-27-19-23(5)7-15-31(27)33(25)35(29)36-30(22(3)4)18-14-26-10-12-28-20-24(6)8-16-32(28)34(26)36/h7-12,15-16,19-22,29-30H,13-14,17-18H2,1-6H3/b36-35+/t29-,30-/m0/s1
InChIKey REPWAPVNWZTWGB-CTHQGUNGSA-N
Molecular Weight 472.716 g/mol
SMILES c12\C(=C\3c4c5c(cc(cc5)C)ccc4CC[C@]3(C(C)C)[H])[C@@](CCc2ccc2c1ccc(c2)C)(C(C)C)[H]
SPLASH splash10-00di-0002900000-2e2ceedf309ba0fb11e6
Source of Spectrum C-127-14221-4
Wiley ID 1701562