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5-(4-methylphenyl)-1-{2-[5-(4-nitrophenyl)-3-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: 1 NMR

5-(4-methylphenyl)-1-{2-[5-(4-nitrophenyl)-3-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 LY4Fj9HGiMp
InChI InChI=1S/C28H23N7O5/c1-17-7-11-20(12-8-17)33-27(37)25-26(28(33)38)32(31-29-25)16-24(36)34-23(19-9-13-21(14-10-19)35(39)40)15-22(30-34)18-5-3-2-4-6-18/h2-14,23,25-26H,15-16H2,1H3
InChIKey IBDAGWQIDOGNGC-UHFFFAOYSA-N
Mol Weight 537.54 g/mol
Molecular Formula C28H23N7O5
Exact Mass 537.176067 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bkhvtj3sEAn
Name 5-(4-methylphenyl)-1-{2-[5-(4-nitrophenyl)-3-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
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/C28H23N7O5/c1-17-7-11-20(12-8-17)33-27(37)25-26(28(33)38)32(31-29-25)16-24(36)34-23(19-9-13-21(14-10-19)35(39)40)15-22(30-34)18-5-3-2-4-6-18/h2-14,23,25-26H,15-16H2,1H3
InChIKey IBDAGWQIDOGNGC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10784
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: 1003974; UBI_ID: UBI-010787
Temperature 318 °C