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Ethyl 1-(4-chlorophenyl)-3-(3-(4-methoxyphenyl)acryloyl)-5-phenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID GLptsCnLdfM
InChI InChI=1S/C28H23ClN2O4/c1-3-35-28(33)25-26(24(32)18-11-19-9-16-23(34-2)17-10-19)30-31(22-14-12-21(29)13-15-22)27(25)20-7-5-4-6-8-20/h4-18H,3H2,1-2H3
InChIKey JTSWSHCQLVDBLL-UHFFFAOYSA-N
Mol Weight 486.96 g/mol
Molecular Formula C28H23ClN2O4
Exact Mass 486.134635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1k0IJ8eLDc
Name Ethyl 1-(4-chlorophenyl)-3-(3-(4-methoxyphenyl)acryloyl)-5-phenyl-1H-pyrazole-4-carboxylate
Appearance Dark yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23ClN2O4
InChI InChI=1S/C28H23ClN2O4/c1-3-35-28(33)25-26(24(32)18-11-19-9-16-23(34-2)17-10-19)30-31(22-14-12-21(29)13-15-22)27(25)20-7-5-4-6-8-20/h4-18H,3H2,1-2H3
InChIKey JTSWSHCQLVDBLL-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q1000-EX Or HP 5988-A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3257
Molecular Weight 486.955 g/mol
SMILES C(C)OC(=O)c1c(n[n](c1-c1ccccc1)-c1ccc(cc1)Cl)C(C=Cc1ccc(cc1)OC)=O
SPLASH splash10-03di-3930100000-220364c91b609e7421b1
Source of Spectrum Y-55-2126-5b
Wiley ID 1879273