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Ethyl 3-(3-(4-chlorophenyl)acryloyl)-5-phenyl-1-(p-tolyl)-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 1BSct0jKfps
InChI InChI=1S/C28H23ClN2O3/c1-3-34-28(33)25-26(24(32)18-13-20-11-14-22(29)15-12-20)30-31(23-16-9-19(2)10-17-23)27(25)21-7-5-4-6-8-21/h4-18H,3H2,1-2H3
InChIKey BKGPLTNQOFULMK-UHFFFAOYSA-N
Mol Weight 470.96 g/mol
Molecular Formula C28H23ClN2O3
Exact Mass 470.13972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2D3mDGVSMhX
Name Ethyl 3-(3-(4-chlorophenyl)acryloyl)-5-phenyl-1-(p-tolyl)-1H-pyrazole-4-carboxylate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23ClN2O3
InChI InChI=1S/C28H23ClN2O3/c1-3-34-28(33)25-26(24(32)18-13-20-11-14-22(29)15-12-20)30-31(23-16-9-19(2)10-17-23)27(25)21-7-5-4-6-8-21/h4-18H,3H2,1-2H3
InChIKey BKGPLTNQOFULMK-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q1000-EX Or HP 5988-A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3257
Molecular Weight 470.956 g/mol
SMILES C(C)OC(=O)c1c(n[n](c1-c1ccccc1)-c1ccc(cc1)C)C(C=Cc1ccc(cc1)Cl)=O
SPLASH splash10-0059-2439200000-89f48f3b1804fd4e5f92
Source of Spectrum Y-55-2126-5f
Wiley ID 1879277