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(+-)-2,8-Bis(4-phenylpyridyl)dibenzobicyclo[b,f][3.3.1]nona-5a,6a-diene-6,12-dione
SpectraBase Compound ID HTaEhCix2c2
InChI InChI=1S/C39H26N2O2/c42-38-34-21-30(26-5-1-24(2-6-26)28-13-17-40-18-14-28)9-11-32(34)36-23-37(38)33-12-10-31(22-35(33)39(36)43)27-7-3-25(4-8-27)29-15-19-41-20-16-29/h1-22,36-37H,23H2
InChIKey TZVLIFGCGHXHOB-UHFFFAOYSA-N
Mol Weight 554.6 g/mol
Molecular Formula C39H26N2O2
Exact Mass 554.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTH4kjXqvJb
Name (+-)-2,8-Bis(4-phenylpyridyl)dibenzobicyclo[b,f][3.3.1]nona-5a,6a-diene-6,12-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H26N2O2
InChI InChI=1S/C39H26N2O2/c42-38-34-21-30(26-5-1-24(2-6-26)28-13-17-40-18-14-28)9-11-32(34)36-23-37(38)33-12-10-31(22-35(33)39(36)43)27-7-3-25(4-8-27)29-15-19-41-20-16-29/h1-22,36-37H,23H2
InChIKey TZVLIFGCGHXHOB-UHFFFAOYSA-N
Molecular Weight 554.649 g/mol
SMILES c12C(C3c4ccc(cc4C(C(c2ccc(c1)-c1ccc(cc1)-c1ccncc1)C3)=O)-c1ccc(cc1)-c1ccncc1)=O
SPLASH splash10-0fb9-6210090000-5cd5ac3006888e4a4c5b
Source of Spectrum F-62-4876-0
Wiley ID 1633379