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(+-)-2,8-(4-bromo-4'-ethynylpyridyl)dibenzobicyclo[b,f][3.3.1]nona-5a,6a-diene-6,12-dione
SpectraBase Compound ID Iso1TXWpwaK
InChI InChI=1S/C24H14BrNO2/c25-16-4-6-18-20(12-16)24(28)21-13-22(18)23(27)19-11-15(3-5-17(19)21)2-1-14-7-9-26-10-8-14/h3-12,21-22H,13H2
InChIKey UURSMXDNYRDMNQ-UHFFFAOYSA-N
Mol Weight 428.29 g/mol
Molecular Formula C24H14BrNO2
Exact Mass 427.020792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TaiqWtZ3kI
Name (+-)-2,8-(4-bromo-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 C24H14BrNO2
InChI InChI=1S/C24H14BrNO2/c25-16-4-6-18-20(12-16)24(28)21-13-22(18)23(27)19-11-15(3-5-17(19)21)2-1-14-7-9-26-10-8-14/h3-12,21-22H,13H2
InChIKey UURSMXDNYRDMNQ-UHFFFAOYSA-N
Molecular Weight 428.285 g/mol
SMILES C12C(c3cc(C#Cc4ccncc4)ccc3C(C1)C(=O)c1c2ccc(Br)c1)=O
SPLASH splash10-004j-2339800000-1a844cd8750041a46a1c
Source of Spectrum F-62-4876-4
Wiley ID 1633382