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diethyl 1-{2-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate

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diethyl 1-{2-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
SpectraBase Compound ID C3FJaAeh27p
InChI InChI=1S/C26H27N5O6/c1-4-36-25(33)23-24(26(34)37-5-2)30(29-27-23)16-22(32)31-21(18-11-13-19(35-3)14-12-18)15-20(28-31)17-9-7-6-8-10-17/h6-14,21H,4-5,15-16H2,1-3H3
InChIKey WGXICNULFREDDT-UHFFFAOYSA-N
Mol Weight 505.53 g/mol
Molecular Formula C26H27N5O6
Exact Mass 505.196134 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KwczbS37Ph3
Name Diethyl 1-{2-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 505.196133603 u
Formula C26H27N5O6
InChI InChI=1S/C26H27N5O6/c1-4-36-25(33)23-24(26(34)37-5-2)30(29-27-23)16-22(32)31-21(18-11-13-19(35-3)14-12-18)15-20(28-31)17-9-7-6-8-10-17/h6-14,21H,4-5,15-16H2,1-3H3
InChIKey WGXICNULFREDDT-UHFFFAOYSA-N
Molecular Weight 505.531 g/mol
SMILES C=1C=CC(C2=NN(C(CN3C(=C(C(=O)OCC)N=N3)C(=O)OCC)=O)C(C2)C=2C=CC(=CC2)OC)=CC1