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3-Ethoxycarbonyl-6-[(4-ethoxycarbonyl-1-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-yl)]-pyridin-2(1H)-one
SpectraBase Compound ID WeN8Vxo5i0
InChI InChI=1S/C26H22ClN3O5/c1-3-34-25(32)19-14-15-20(28-24(19)31)22-21(26(33)35-4-2)23(16-8-6-5-7-9-16)30(29-22)18-12-10-17(27)11-13-18/h5-15H,3-4H2,1-2H3,(H,28,31)
InChIKey GYNUNQIHQAMFSU-UHFFFAOYSA-N
Mol Weight 491.93 g/mol
Molecular Formula C26H22ClN3O5
Exact Mass 491.124799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6dFLL94NNb
Name 3-Ethoxycarbonyl-6-[(4-ethoxycarbonyl-1-(4-chlorophenyl)-5-phenyl-1H-pyrazol-3-yl)]-pyridin-2(1H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22ClN3O5
InChI InChI=1S/C26H22ClN3O5/c1-3-34-25(32)19-14-15-20(28-24(19)31)22-21(26(33)35-4-2)23(16-8-6-5-7-9-16)30(29-22)18-12-10-17(27)11-13-18/h5-15H,3-4H2,1-2H3,(H,28,31)
InChIKey GYNUNQIHQAMFSU-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 491.931 g/mol
SMILES N1C(C(=CC=C1c1n[n](-c2ccc(Cl)cc2)c(c1C(=O)OCC)-c1ccccc1)C(=O)OCC)=O
SPLASH splash10-0w29-7593100000-825f3743512f4fb39dc5
Source of Spectrum ARK-2010-28-16b
Wiley ID 1870002