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Ethyl 1-(4-chlorophenyl)-3-cinnamoyl-5-phenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 7kSEvT29Enb
InChI InChI=1S/C27H21ClN2O3/c1-2-33-27(32)24-25(23(31)18-13-19-9-5-3-6-10-19)29-30(22-16-14-21(28)15-17-22)26(24)20-11-7-4-8-12-20/h3-18H,2H2,1H3
InChIKey WVRUKEBIWZMXIW-UHFFFAOYSA-N
Mol Weight 456.93 g/mol
Molecular Formula C27H21ClN2O3
Exact Mass 456.12407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQEE7Zoo117
Name Ethyl 1-(4-chlorophenyl)-3-cinnamoyl-5-phenyl-1H-pyrazole-4-carboxylate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21ClN2O3
InChI InChI=1S/C27H21ClN2O3/c1-2-33-27(32)24-25(23(31)18-13-19-9-5-3-6-10-19)29-30(22-16-14-21(28)15-17-22)26(24)20-11-7-4-8-12-20/h3-18H,2H2,1H3
InChIKey WVRUKEBIWZMXIW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q1000-EX Or HP 5988-A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3257
Molecular Weight 456.929 g/mol
SMILES C(C)OC(=O)c1c(n[n](c1-c1ccccc1)-c1ccc(cc1)Cl)C(C=Cc1ccccc1)=O
SPLASH splash10-0w4i-4910000000-9a6e0ca5fba32c81188b
Source of Spectrum Y-55-2126-5a
Wiley ID 1879272