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1-{4-[4-benzoyl-1-(4-chlorophenyl)-1H-pyrazole-3-carbonyl]-1-phenyl-1H-pyrazol-3-yl}-3-dimethylamino-propenone
SpectraBase Compound ID HvYlUndwQti
InChI InChI=1S/C31H24ClN5O3/c1-35(2)28(38)18-17-27-25(19-36(33-27)23-11-7-4-8-12-23)31(40)29-26(30(39)21-9-5-3-6-10-21)20-37(34-29)24-15-13-22(32)14-16-24/h3-20H,1-2H3/b18-17+
InChIKey YVWRAMRSLHOTNW-ISLYRVAYSA-N
Mol Weight 550.02 g/mol
Molecular Formula C31H24ClN5O3
Exact Mass 549.156767 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CELiiyptMCR
Name 1-{4-[4-benzoyl-1-(4-chlorophenyl)-1H-pyrazole-3-carbonyl]-1-phenyl-1H-pyrazol-3-yl}-3-dimethylamino-propenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H24ClN5O3
InChI InChI=1S/C31H24ClN5O3/c1-35(2)28(38)18-17-27-25(19-36(33-27)23-11-7-4-8-12-23)31(40)29-26(30(39)21-9-5-3-6-10-21)20-37(34-29)24-15-13-22(32)14-16-24/h3-20H,1-2H3/b18-17+
InChIKey YVWRAMRSLHOTNW-ISLYRVAYSA-N
Molecular Weight 550.018 g/mol
SMILES c1(c(n[n](c1)-c1ccc(cc1)Cl)C(c1c[n](-c2ccccc2)nc1\C=C\C(N(C)C)=O)=O)C(=O)c1ccccc1
SPLASH splash10-0k92-9500140000-3d1716750c3134549e68
Source of Spectrum F2-45-1048-5c
Wiley ID 1689090