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6-Acetyl-3-amino-5-(1,3-diphenyl-1H-pyrazol-4-yl)-2-phenyl-2,5-dihydropyridazine-4-carbonitrile
SpectraBase Compound ID 7H06q3A03rJ
InChI InChI=1S/C28H22N6O/c1-19(35)26-25(23(17-29)28(30)34(32-26)22-15-9-4-10-16-22)24-18-33(21-13-7-3-8-14-21)31-27(24)20-11-5-2-6-12-20/h2-16,18,25H,30H2,1H3
InChIKey RPIAJLLXUYULDI-UHFFFAOYSA-N
Mol Weight 458.53 g/mol
Molecular Formula C28H22N6O
Exact Mass 458.185509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXYD8O2yvfe
Name 6-Acetyl-3-amino-5-(1,3-diphenyl-1H-pyrazol-4-yl)-2-phenyl-2,5-dihydropyridazine-4-carbonitrile
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22N6O
InChI InChI=1S/C28H22N6O/c1-19(35)26-25(23(17-29)28(30)34(32-26)22-15-9-4-10-16-22)24-18-33(21-13-7-3-8-14-21)31-27(24)20-11-5-2-6-12-20/h2-16,18,25H,30H2,1H3
InChIKey RPIAJLLXUYULDI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2606
Molecular Weight 458.525 g/mol
Reported Formula C28H22N6O
SMILES NC1=C(C(C(C(C)=O)=NN1c1ccccc1)c1c(n[n](c1)-c1ccccc1)-c1ccccc1)C#N
SPLASH splash10-014i-2000900000-b72b2846bc5d7b6a151a
Source of Spectrum Y-54-477-8a
Wiley ID 1877882