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6-Acetyl-3-amino-5-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-2-phenyl-2,5-dihydropyridazine-4-carbonitrile
SpectraBase Compound ID 9n0n7MWLMrG
InChI InChI=1S/C28H21ClN6O/c1-18(36)26-25(23(16-30)28(31)35(33-26)22-10-6-3-7-11-22)24-17-34(21-8-4-2-5-9-21)32-27(24)19-12-14-20(29)15-13-19/h2-15,17,25H,31H2,1H3
InChIKey GAANWPRITQBHKH-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 GNUFn9aCMPM
Name 6-Acetyl-3-amino-5-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-2-phenyl-2,5-dihydropyridazine-4-carbonitrile
Appearance Orange crystals
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)22-10-6-3-7-11-22)24-17-34(21-8-4-2-5-9-21)32-27(24)19-12-14-20(29)15-13-19/h2-15,17,25H,31H2,1H3
InChIKey GAANWPRITQBHKH-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)=NN1c1ccccc1)c1c(n[n](c1)-c1ccccc1)-c1ccc(cc1)Cl)C#N
SPLASH splash10-02ai-7490700000-18a3ef176306de14f87d
Source of Spectrum Y-54-478-8c
Wiley ID 1877884