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6-Acetyl-3-amino-2-(4-chlorophenyl)-5-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-2,5-dihydropyridazine-4-carbonitrile
SpectraBase Compound ID Dsh0vXRnfgo
InChI InChI=1S/C28H20Cl2N6O/c1-17(37)26-25(23(15-31)28(32)36(34-26)22-13-11-20(30)12-14-22)24-16-35(21-5-3-2-4-6-21)33-27(24)18-7-9-19(29)10-8-18/h2-14,16,25H,32H2,1H3
InChIKey YUVOYAJTDOBJLR-UHFFFAOYSA-N
Mol Weight 527.42 g/mol
Molecular Formula C28H20Cl2N6O
Exact Mass 526.107565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53kLtSvkRIj
Name 6-Acetyl-3-amino-2-(4-chlorophenyl)-5-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)-2,5-dihydropyridazine-4-carbonitrile
Appearance Brownish-yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20Cl2N6O
InChI InChI=1S/C28H20Cl2N6O/c1-17(37)26-25(23(15-31)28(32)36(34-26)22-13-11-20(30)12-14-22)24-16-35(21-5-3-2-4-6-21)33-27(24)18-7-9-19(29)10-8-18/h2-14,16,25H,32H2,1H3
InChIKey YUVOYAJTDOBJLR-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2606
Molecular Weight 527.415 g/mol
Reported Formula C28H20Cl2N6O
SMILES NC1=C(C(C(C(C)=O)=NN1c1ccc(cc1)Cl)c1c(n[n](c1)-c1ccccc1)-c1ccc(cc1)Cl)C#N
SPLASH splash10-001i-9222540000-633f66c0649b6d317e94
Source of Spectrum Y-54-478-8f
Wiley ID 1877887