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3,4-Bis-(1-phenyl-3-ethoxycarbonyl-pyrazol-4-carbonyl)-5-methyl-1-phenyl-pyrazole
SpectraBase Compound ID FkhfzmukIAo
InChI InChI=1S/C36H30N6O6/c1-4-47-35(45)30-27(21-40(37-30)24-15-9-6-10-16-24)33(43)29-23(3)42(26-19-13-8-14-20-26)39-32(29)34(44)28-22-41(25-17-11-7-12-18-25)38-31(28)36(46)48-5-2/h6-22H,4-5H2,1-3H3
InChIKey SPSFMZJTBFKZNE-UHFFFAOYSA-N
Mol Weight 642.7 g/mol
Molecular Formula C36H30N6O6
Exact Mass 642.222683 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jj94RgtUa2M
Name 3,4-Bis-(1-phenyl-3-ethoxycarbonyl-pyrazol-4-carbonyl)-5-methyl-1-phenyl-pyrazole
Alternate Name(s) Diethyl 4,4'-(5-methyl-1-phenyl-1H-pyrazole-3,4-dicarbonyl)bis(1-phenyl-1H-pyrazole-3-carboxylate) 4-[[3-[(3-ethoxycarbonyl-1-phenyl-4-pyrazolyl)-oxomethyl]-5-methyl-1-phenyl-4-pyrazolyl]-oxomethyl]-1-phenyl-3-pyrazolecarboxylic acid ethyl ester Ethyl 4-[3-(3-ethoxycarbonyl-1-phenylpyrazole-4-carbonyl)-5-methyl-1-phenylpyrazole-4-carbonyl]-1-phenylpyrazole-3-carboxylate Ethyl 4-[3-(3-ethoxycarbonyl-1-phenyl-pyrazole-4-carbonyl)-5-methyl-1-phenyl-pyrazole-4-carbonyl]-1-phenyl-pyrazole-3-carboxylate Ethyl 4-[3-(3-ethoxycarbonyl-1-phenyl-pyrazol-4-yl)carbonyl-5-methyl-1-phenyl-pyrazol-4-yl]carbonyl-1-phenyl-pyrazole-3-carboxylate
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Formula C36H30N6O6
InChI InChI=1S/C36H30N6O6/c1-4-47-35(45)30-27(21-40(37-30)24-15-9-6-10-16-24)33(43)29-23(3)42(26-19-13-8-14-20-26)39-32(29)34(44)28-22-41(25-17-11-7-12-18-25)38-31(28)36(46)48-5-2/h6-22H,4-5H2,1-3H3
InChIKey SPSFMZJTBFKZNE-UHFFFAOYSA-N
Molecular Weight 642.672 g/mol
SMILES c1(n[n](c(c1C(=O)c1c(n[n](c1)-c1ccccc1)C(=O)OCC)C)-c1ccccc1)C(=O)c1c(n[n](c1)-c1ccccc1)C(=O)OCC
SPLASH splash10-016u-9752100000-9b07e6b057e2a729ef3f
Source of Spectrum Y-50-20-6a
Wiley ID 1736361