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3,4-Bis-(1-(p-tolyl)-3-ethoxycarbonyl-pyrazol-4-carbonyl)-5-methyl-1-phenyl-pyrazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3,4-Bis-(1-(p-tolyl)-3-ethoxycarbonyl-pyrazol-4-carbonyl)-5-methyl-1-phenyl-pyrazole
SpectraBase Compound ID 5hncPumhp00
InChI InChI=1S/C38H34N6O6/c1-6-49-37(47)32-29(21-42(39-32)26-17-13-23(3)14-18-26)35(45)31-25(5)44(28-11-9-8-10-12-28)41-34(31)36(46)30-22-43(27-19-15-24(4)16-20-27)40-33(30)38(48)50-7-2/h8-22H,6-7H2,1-5H3
InChIKey VKERDZPXPUMWGO-UHFFFAOYSA-N
Mol Weight 670.7 g/mol
Molecular Formula C38H34N6O6
Exact Mass 670.253983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTiZYy7DN7f
Name 3,4-bis-(1-(p-Tolyl)-3-ethoxycarbonyl-pyrazol-4-carbonyl)-5-methyl-1-phenyl-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 670.253982833 u
Formula C38H34N6O6
InChI InChI=1S/C38H34N6O6/c1-6-49-37(47)32-29(21-42(39-32)26-17-13-23(3)14-18-26)35(45)31-25(5)44(28-11-9-8-10-12-28)41-34(31)36(46)30-22-43(27-19-15-24(4)16-20-27)40-33(30)38(48)50-7-2/h8-22H,6-7H2,1-5H3
InChIKey VKERDZPXPUMWGO-UHFFFAOYSA-N
SMILES C=1(C(=NN(C1C)C=1C=CC=CC1)C(C=1C(=NN(C1)C=1C=CC(=CC1)C)C(=O)OCC)=O)C(C=1C(=NN(C1)C1=CC=C(C=C1)C)C(=O)OCC)=O