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

View entire compound with spectra: 1 NMR

1-{2-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
SpectraBase Compound ID HIAgVG2W6wt
InChI InChI=1S/C28H23ClN6O3/c1-17-7-13-21(14-8-17)34-27(37)25-26(28(34)38)33(32-30-25)16-24(36)35-23(19-5-3-2-4-6-19)15-22(31-35)18-9-11-20(29)12-10-18/h2-14,23,25-26H,15-16H2,1H3
InChIKey SOWMTRJNNUVSAC-UHFFFAOYSA-N
Mol Weight 526.98 g/mol
Molecular Formula C28H23ClN6O3
Exact Mass 526.152016 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ybezujieml
Name 1-{2-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H23ClN6O3/c1-17-7-13-21(14-8-17)34-27(37)25-26(28(34)38)33(32-30-25)16-24(36)35-23(19-5-3-2-4-6-19)15-22(31-35)18-9-11-20(29)12-10-18/h2-14,23,25-26H,15-16H2,1H3
InChIKey SOWMTRJNNUVSAC-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14802
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/1020210; UBI_ID: UBI-014805
Temperature 300 °C