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3-Acetyl-6-[(4-ethoxycarbonyl-1-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl)]-2-methylpyridine
SpectraBase Compound ID 7LedUfhNqIL
InChI InChI=1S/C26H22ClN3O3/c1-4-33-26(32)23-24(22-15-14-21(17(3)31)16(2)28-22)29-30(20-12-10-19(27)11-13-20)25(23)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3
InChIKey SJJQKBPHKQPAQQ-UHFFFAOYSA-N
Mol Weight 459.93 g/mol
Molecular Formula C26H22ClN3O3
Exact Mass 459.134969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mEehANdp0R
Name 3-Acetyl-6-[(4-ethoxycarbonyl-1-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl)]-2-methylpyridine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22ClN3O3
InChI InChI=1S/C26H22ClN3O3/c1-4-33-26(32)23-24(22-15-14-21(17(3)31)16(2)28-22)29-30(20-12-10-19(27)11-13-20)25(23)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3
InChIKey SJJQKBPHKQPAQQ-UHFFFAOYSA-N
Instrument Name GCMS-Q1000-EX Shimadzu or GCMS 5988-A HP
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.903
Molecular Weight 459.933 g/mol
SMILES c1([n](nc(c1C(OCC)=O)-c1nc(c(cc1)C(=O)C)C)-c1ccc(Cl)cc1)-c1ccccc1
SPLASH splash10-03fr-8504900000-0d596c0c6cb90f8cbaa1
Source of Spectrum ARK-2010-27-13a
Wiley ID 1869999