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N,N'-([1,1'-biphenyl]-4,4'-diyl)bis(3-amino-6-cyano-2-(4-methoxyphenyl)-5-oxo-2,5-dihydropyridazine-4-carboxamide)
SpectraBase Compound ID IahgUlVPWqb
InChI InChI=1S/C38H28N10O6/c1-53-27-15-11-25(12-16-27)47-35(41)31(33(49)29(19-39)45-47)37(51)43-23-7-3-21(4-8-23)22-5-9-24(10-6-22)44-38(52)32-34(50)30(20-40)46-48(36(32)42)26-13-17-28(54-2)18-14-26/h3-18H,41-42H2,1-2H3,(H,43,51)(H,44,52)
InChIKey LWGYAJWYHVNLOH-UHFFFAOYSA-N
Mol Weight 720.7 g/mol
Molecular Formula C38H28N10O6
Exact Mass 720.219329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HooyOAA1eNG
Name N,N'-([1,1'-biphenyl]-4,4'-diyl)bis(3-amino-6-cyano-2-(4-methoxyphenyl)-5-oxo-2,5-dihydropyridazine-4-carboxamide)
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H28N10O6
InChI InChI=1S/C38H28N10O6/c1-53-27-15-11-25(12-16-27)47-35(41)31(33(49)29(19-39)45-47)37(51)43-23-7-3-21(4-8-23)22-5-9-24(10-6-22)44-38(52)32-34(50)30(20-40)46-48(36(32)42)26-13-17-28(54-2)18-14-26/h3-18H,41-42H2,1-2H3,(H,43,51)(H,44,52)
InChIKey LWGYAJWYHVNLOH-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3290
Molecular Weight 720.706 g/mol
SMILES N(c1ccc(-c2ccc(cc2)NC(C2=C(N(N=C(C2=O)C#N)c2ccc(cc2)OC)N)=O)cc1)C(C1=C(N(N=C(C1=O)C#N)c1ccc(cc1)OC)N)=O
SPLASH splash10-0ab9-9100000000-d61bd87c0046840d4f32
Source of Spectrum Y-55-2681-14c
Wiley ID 1878933