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diethyl 1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
SpectraBase Compound ID 8Sk4sWZiAx
InChI InChI=1S/C25H25N5O5/c1-3-34-24(32)22-23(25(33)35-4-2)29(28-26-22)16-21(31)30-20(18-13-9-6-10-14-18)15-19(27-30)17-11-7-5-8-12-17/h5-14,20H,3-4,15-16H2,1-2H3
InChIKey JSLWMMDDPWYOOJ-UHFFFAOYSA-N
Mol Weight 475.51 g/mol
Molecular Formula C25H25N5O5
Exact Mass 475.185569 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgFoXplf5ly
Name Diethyl 1-[2-(3,5-diphenyl-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 475.185568920 u
Formula C25H25N5O5
InChI InChI=1S/C25H25N5O5/c1-3-34-24(32)22-23(25(33)35-4-2)29(28-26-22)16-21(31)30-20(18-13-9-6-10-14-18)15-19(27-30)17-11-7-5-8-12-17/h5-14,20H,3-4,15-16H2,1-2H3
InChIKey JSLWMMDDPWYOOJ-UHFFFAOYSA-N
Molecular Weight 475.505 g/mol
SMILES C1=CC=C(C2=NN(C(CN3C(=C(C(=O)OCC)N=N3)C(=O)OCC)=O)C(C2)C=2C=CC=CC2)C=C1