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5-(4-methylphenyl)-1-{2-[3-(1-naphthyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

View entire compound with spectra: 2 NMR

5-(4-methylphenyl)-1-{2-[3-(1-naphthyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
SpectraBase Compound ID KSgz6t6cfdn
InChI InChI=1S/C32H26N6O3/c1-20-14-16-23(17-15-20)37-31(40)29-30(32(37)41)36(35-33-29)19-28(39)38-27(22-9-3-2-4-10-22)18-26(34-38)25-13-7-11-21-8-5-6-12-24(21)25/h2-17,27,29-30H,18-19H2,1H3
InChIKey YXRWXGLNQSUYFB-UHFFFAOYSA-N
Mol Weight 542.6 g/mol
Molecular Formula C32H26N6O3
Exact Mass 542.206639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuPnRq6OcV8
Name 5-(4-Methylphenyl)-1-{2-[3-(1-naphthyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3A,6A-dihydropyrrolo[3,4-D][1,2,3]triazole-4,6(1H,5H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.206638718 u
Formula C32H26N6O3
InChI InChI=1S/C32H26N6O3/c1-20-14-16-23(17-15-20)37-31(40)29-30(32(37)41)36(35-33-29)19-28(39)38-27(22-9-3-2-4-10-22)18-26(34-38)25-13-7-11-21-8-5-6-12-24(21)25/h2-17,27,29-30H,18-19H2,1H3
InChIKey YXRWXGLNQSUYFB-UHFFFAOYSA-N
Molecular Weight 542.599 g/mol
SMILES C12C(N(CC(N3N=C(C=4C5=C(C=CC=C5)C=CC4)CC3C=3C=CC=CC3)=O)N=N2)C(=O)N(C1=O)C=1C=CC(=CC1)C