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N,N'-([1,1'-biphenyl]-4,4'-diyl)bis(5-amino-2-(4-chlorophenyl)-6-cyano-3-imino-2,3-dihydropyridazine-4-carboxamide)
SpectraBase Compound ID DPbgr3YoODd
InChI InChI=1S/C36H24Cl2N12O2/c37-21-5-13-25(14-6-21)49-33(43)29(31(41)27(17-39)47-49)35(51)45-23-9-1-19(2-10-23)20-3-11-24(12-4-20)46-36(52)30-32(42)28(18-40)48-50(34(30)44)26-15-7-22(38)8-16-26/h1-16,43-44H,41-42H2,(H,45,51)(H,46,52)
InChIKey BASAZAOIJGXFHM-UHFFFAOYSA-N
Mol Weight 727.6 g/mol
Molecular Formula C36H24Cl2N12O2
Exact Mass 726.152223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KagqipvFy8v
Name N,N'-([1,1'-biphenyl]-4,4'-diyl)bis(5-amino-2-(4-chlorophenyl)-6-cyano-3-imino-2,3-dihydropyridazine-4-carboxamide)
Appearance Dark brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H24Cl2N12O2
InChI InChI=1S/C36H24Cl2N12O2/c37-21-5-13-25(14-6-21)49-33(43)29(31(41)27(17-39)47-49)35(51)45-23-9-1-19(2-10-23)20-3-11-24(12-4-20)46-36(52)30-32(42)28(18-40)48-50(34(30)44)26-15-7-22(38)8-16-26/h1-16,43-44H,41-42H2,(H,45,51)(H,46,52)
InChIKey BASAZAOIJGXFHM-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3290
Molecular Weight 727.576 g/mol
SMILES N(c1ccc(-c2ccc(cc2)NC(C=2C(N(N=C(C2N)C#N)c2ccc(cc2)Cl)=N)=O)cc1)C(C1=C(C(=NN(C1=N)c1ccc(cc1)Cl)C#N)N)=O
SPLASH splash10-0cl0-9310000000-f4deee23499ad6cccc0f
Source of Spectrum Y-55-2681-16c
Wiley ID 1878934