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diethyl 1-{2-[3-(1-naphthyl)-5-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-[3-(1-naphthyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
SpectraBase Compound ID 8AaVPcSjj4v
InChI InChI=1S/C29H27N5O5/c1-3-38-28(36)26-27(29(37)39-4-2)33(32-30-26)18-25(35)34-24(20-12-6-5-7-13-20)17-23(31-34)22-16-10-14-19-11-8-9-15-21(19)22/h5-16,24H,3-4,17-18H2,1-2H3
InChIKey KKDZYPYJTQYQMS-UHFFFAOYSA-N
Mol Weight 525.57 g/mol
Molecular Formula C29H27N5O5
Exact Mass 525.201219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Au5KlOdyMF2
Name Diethyl 1-{2-[3-(1-naphthyl)-5-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 525.201218984 u
Formula C29H27N5O5
InChI InChI=1S/C29H27N5O5/c1-3-38-28(36)26-27(29(37)39-4-2)33(32-30-26)18-25(35)34-24(20-12-6-5-7-13-20)17-23(31-34)22-16-10-14-19-11-8-9-15-21(19)22/h5-16,24H,3-4,17-18H2,1-2H3
InChIKey KKDZYPYJTQYQMS-UHFFFAOYSA-N
Molecular Weight 525.565 g/mol
SMILES C=1C=CC(C2N(C(CN3C(=C(C(=O)OCC)N=N3)C(=O)OCC)=O)N=C(C=3C=4C(=CC=CC4)C=CC3)C2)=CC1