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(2.alpha.,3.alpha.,6.alpha.,7.alpha.)-2,3,5,7-Tetraphenyl-1,4-diazbicyclo-[4.1.0]hept-4-ene
SpectraBase Compound ID 9iPdusfskBH
InChI InChI=1S/C29H24N2/c1-5-13-21(14-6-1)25-27(23-17-9-3-10-18-23)31-28(24-19-11-4-12-20-24)29(31)26(30-25)22-15-7-2-8-16-22/h1-20,25,27-29H/t25-,27+,28-,29-,31?/m0/s1
InChIKey VGWDXYVFLQBVLO-KNVXFQTJSA-N
Mol Weight 400.53 g/mol
Molecular Formula C29H24N2
Exact Mass 400.193949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DIWJ6GfKFG
Name (2.alpha.,3.alpha.,6.alpha.,7.alpha.)-2,3,5,7-Tetraphenyl-1,4-diazbicyclo-[4.1.0]hept-4-ene
CAS Registry Number 54964-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H24N2
InChI InChI=1S/C29H24N2/c1-5-13-21(14-6-1)25-27(23-17-9-3-10-18-23)31-28(24-19-11-4-12-20-24)29(31)26(30-25)22-15-7-2-8-16-22/h1-20,25,27-29H/t25-,27+,28-,29-,31?/m0/s1
InChIKey VGWDXYVFLQBVLO-KNVXFQTJSA-N
Molecular Weight 400.525 g/mol
SMILES [C@]12(N([C@@]([C@@](N=C2c2ccccc2)(c2ccccc2)[H])(c2ccccc2)[H])[C@]1(c1ccccc1)[H])[H]
SPLASH splash10-0pbc-2977000000-30836f9fc86c8bd14f80
Source of Spectrum J-40-1686-0
Synonyms (2R,3S,6R,7S)-2,3,5,7-tetraphenyl-1,4-diazabicyclo[4.1.0]hept-4-ene
Wiley ID 1369845