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N,N'-([1,1'-biphenyl]-4,4'-diyl)bis(5-amino-6-cyano-3-imino-2-(3-nitrophenyl)-2,3-dihydropyridazine-4-carboxamide)
SpectraBase Compound ID 7xUTUMgUXUW
InChI InChI=1S/C36H24N14O6/c37-17-27-31(39)29(33(41)47(45-27)23-12-14-24(15-13-23)49(53)54)35(51)43-21-8-4-19(5-9-21)20-6-10-22(11-7-20)44-36(52)30-32(40)28(18-38)46-48(34(30)42)25-2-1-3-26(16-25)50(55)56/h1-16,41-42H,39-40H2,(H,43,51)(H,44,52)
InChIKey QNASHGLLVHAUHW-UHFFFAOYSA-N
Mol Weight 748.7 g/mol
Molecular Formula C36H24N14O6
Exact Mass 748.200325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mCpqVwc3pM
Name N,N'-([1,1'-biphenyl]-4,4'-diyl)bis(5-amino-6-cyano-3-imino-2-(3-nitrophenyl)-2,3-dihydropyridazine-4-carboxamide)
Appearance Brown crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H24N14O6
InChI InChI=1S/C36H24N14O6/c37-17-27-31(39)29(33(41)47(45-27)23-12-14-24(15-13-23)49(53)54)35(51)43-21-8-4-19(5-9-21)20-6-10-22(11-7-20)44-36(52)30-32(40)28(18-38)46-48(34(30)42)25-2-1-3-26(16-25)50(55)56/h1-16,41-42H,39-40H2,(H,43,51)(H,44,52)
InChIKey QNASHGLLVHAUHW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3290
Molecular Weight 748.680 g/mol
SMILES N(c1ccc(-c2ccc(cc2)NC(C=2C(N(N=C(C2N)C#N)c2ccc(cc2)[N+]([O-])=O)=N)=O)cc1)C(C1=C(C(=NN(C1=N)c1cc(ccc1)[N+]([O-])=O)C#N)N)=O
SPLASH splash10-0a4j-9410000000-cf81e00a4767eeed6750
Source of Spectrum Y-55-2682-16d
Wiley ID 1878935