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2-[5-(3,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenyl 4-methylbenzoate

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2-[5-(3,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenyl 4-methylbenzoate
SpectraBase Compound ID 7OFYKfVxCZP
InChI InChI=1S/C34H32N2O6/c1-21-6-10-23(11-7-21)33(37)36-29(25-14-17-30(40-4)32(18-25)41-5)20-28(35-36)27-16-15-26(39-3)19-31(27)42-34(38)24-12-8-22(2)9-13-24/h6-19,29H,20H2,1-5H3
InChIKey JKOHYYPOWWUUCT-UHFFFAOYSA-N
Mol Weight 564.6 g/mol
Molecular Formula C34H32N2O6
Exact Mass 564.226037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BCMcBYc353b
Name 2-[5-(3,4-Dimethoxyphenyl)-1-(4-methylbenzoyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenyl 4-methylbenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 564.226036752 u
Formula C34H32N2O6
InChI InChI=1S/C34H32N2O6/c1-21-6-10-23(11-7-21)33(37)36-29(25-14-17-30(40-4)32(18-25)41-5)20-28(35-36)27-16-15-26(39-3)19-31(27)42-34(38)24-12-8-22(2)9-13-24/h6-19,29H,20H2,1-5H3
InChIKey JKOHYYPOWWUUCT-UHFFFAOYSA-N
Molecular Weight 564.638 g/mol
SMILES COC1=CC=C(C2=NN(C(C2)C2=CC(OC)=C(C=C2)OC)C(C2=CC=C(C=C2)C)=O)C(OC(C2=CC=C(C=C2)C)=O)=C1