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Ethyl 3-[(3-acetyl-1-phenyl-1H-4-pyrazolyl)carbonyl]-1-(4-chlorophenyl)-5-phenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID K1IjUkSTvXc
InChI InChI=1S/C30H23ClN4O4/c1-3-39-30(38)25-27(29(37)24-18-34(32-26(24)19(2)36)22-12-8-5-9-13-22)33-35(23-16-14-21(31)15-17-23)28(25)20-10-6-4-7-11-20/h4-18H,3H2,1-2H3
InChIKey MREDXQYYTRYRMX-UHFFFAOYSA-N
Mol Weight 538.99 g/mol
Molecular Formula C30H23ClN4O4
Exact Mass 538.140783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60VKNyleBTn
Name Ethyl 3-[(3-acetyl-1-phenyl-1H-4-pyrazolyl)carbonyl]-1-(4-chlorophenyl)-5-phenyl-1H-pyrazole-4-carboxylate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H23ClN4O4
InChI InChI=1S/C30H23ClN4O4/c1-3-39-30(38)25-27(29(37)24-18-34(32-26(24)19(2)36)22-12-8-5-9-13-22)33-35(23-16-14-21(31)15-17-23)28(25)20-10-6-4-7-11-20/h4-18H,3H2,1-2H3
InChIKey MREDXQYYTRYRMX-UHFFFAOYSA-N
Instrument Name AEI MS 30
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.e08
Molecular Weight 538.991 g/mol
SMILES C(C)OC(=O)c1c(n[n](c1-c1ccccc1)-c1ccc(cc1)Cl)C(=O)c1c(n[n](c1)-c1ccccc1)C(C)=O
SPLASH splash10-01ot-9011020000-7b5a93a16ff08e355826
Source of Spectrum ARK-2009-96-8d
Wiley ID 1869897