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6-Acetyl-3-amino-2-(4-chlorophenyl)-5-(1,3-diphenyl-1H-pyrazol-4-yl)-2,5-dihydropyridazine-4-carbonitrile
SpectraBase Compound ID 93TeDMDdj6F
InChI InChI=1S/C28H21ClN6O/c1-18(36)26-25(23(16-30)28(31)35(33-26)22-14-12-20(29)13-15-22)24-17-34(21-10-6-3-7-11-21)32-27(24)19-8-4-2-5-9-19/h2-15,17,25H,31H2,1H3
InChIKey GRLXFUMYJWWNII-UHFFFAOYSA-N
Mol Weight 492.97 g/mol
Molecular Formula C28H21ClN6O
Exact Mass 492.146537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WGG5JJs0nY
Name 6-Acetyl-3-amino-2-(4-chlorophenyl)-5-(1,3-diphenyl-1H-pyrazol-4-yl)-2,5-dihydropyridazine-4-carbonitrile
Appearance Yellow-orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H21ClN6O
InChI InChI=1S/C28H21ClN6O/c1-18(36)26-25(23(16-30)28(31)35(33-26)22-14-12-20(29)13-15-22)24-17-34(21-10-6-3-7-11-21)32-27(24)19-8-4-2-5-9-19/h2-15,17,25H,31H2,1H3
InChIKey GRLXFUMYJWWNII-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2606
Molecular Weight 492.970 g/mol
Reported Formula C28H21ClN6O
SMILES NC1=C(C(C(C(C)=O)=NN1c1ccc(cc1)Cl)c1c(n[n](c1)-c1ccccc1)-c1ccccc1)C#N
SPLASH splash10-02ai-9680700000-0e028bd14e793954dd1f
Source of Spectrum Y-54-478-8d
Wiley ID 1877885