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(+-)-2,8-Bis(4-ethynylpyridyl)dibenzobicyclo[b,f][3.3.1]nona-5a,6a-diene-6,12-dione
SpectraBase Compound ID G8gfS3g9mo0
InChI InChI=1S/C31H18N2O2/c34-30-26-17-22(3-1-20-9-13-32-14-10-20)5-7-24(26)28-19-29(30)25-8-6-23(18-27(25)31(28)35)4-2-21-11-15-33-16-12-21/h5-18,28-29H,19H2
InChIKey IGDSPBGQOPMCLH-UHFFFAOYSA-N
Mol Weight 450.5 g/mol
Molecular Formula C31H18N2O2
Exact Mass 450.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fk0E74Hn3mj
Name (+-)-2,8-Bis(4-ethynylpyridyl)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 C31H18N2O2
InChI InChI=1S/C31H18N2O2/c34-30-26-17-22(3-1-20-9-13-32-14-10-20)5-7-24(26)28-19-29(30)25-8-6-23(18-27(25)31(28)35)4-2-21-11-15-33-16-12-21/h5-18,28-29H,19H2
InChIKey IGDSPBGQOPMCLH-UHFFFAOYSA-N
Molecular Weight 450.497 g/mol
SMILES C12C(c3cc(C#Cc4ccncc4)ccc3C(C1)C(=O)c1c2ccc(C#Cc2ccncc2)c1)=O
SPLASH splash10-0udi-0000900000-e225af1a6a1249799210
Source of Spectrum F-62-4876-0
Wiley ID 1633381