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Ethyl 1-(4-chlorophenyl)-3-(3-(4-chlorophenyl)acryloyl)-5-phenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID IXnvpBD2W12
InChI InChI=1S/C27H20Cl2N2O3/c1-2-34-27(33)24-25(23(32)17-10-18-8-11-20(28)12-9-18)30-31(22-15-13-21(29)14-16-22)26(24)19-6-4-3-5-7-19/h3-17H,2H2,1H3
InChIKey OWPJSYZGNNUFFP-UHFFFAOYSA-N
Mol Weight 491.37 g/mol
Molecular Formula C27H20Cl2N2O3
Exact Mass 490.085098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Yd0e6AXhSP
Name Ethyl 1-(4-chlorophenyl)-3-(3-(4-chlorophenyl)acryloyl)-5-phenyl-1H-pyrazole-4-carboxylate
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20Cl2N2O3
InChI InChI=1S/C27H20Cl2N2O3/c1-2-34-27(33)24-25(23(32)17-10-18-8-11-20(28)12-9-18)30-31(22-15-13-21(29)14-16-22)26(24)19-6-4-3-5-7-19/h3-17H,2H2,1H3
InChIKey OWPJSYZGNNUFFP-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q1000-EX Or HP 5988-A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3257
Molecular Weight 491.374 g/mol
SMILES C(C)OC(=O)c1c(n[n](c1-c1ccccc1)-c1ccc(cc1)Cl)C(C=Cc1ccc(cc1)Cl)=O
SPLASH splash10-0006-0045900000-f6553aa525878eb571b1
Source of Spectrum Y-55-2126-5c
Wiley ID 1879274