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1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-5-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

View entire compound with spectra: 1 NMR

1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-5-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
SpectraBase Compound ID DIjhzrhWDk0
InChI InChI=1S/C27H21N7O5/c35-23(33-22(18-9-5-2-6-10-18)15-21(29-33)17-7-3-1-4-8-17)16-31-25-24(28-30-31)26(36)32(27(25)37)19-11-13-20(14-12-19)34(38)39/h1-14,22,24-25H,15-16H2
InChIKey WZMALAQTTWYBPH-UHFFFAOYSA-N
Mol Weight 523.51 g/mol
Molecular Formula C27H21N7O5
Exact Mass 523.160417 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2W1mS8MRmlX
Name 1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-5-(4-nitrophenyl)-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/C27H21N7O5/c35-23(33-22(18-9-5-2-6-10-18)15-21(29-33)17-7-3-1-4-8-17)16-31-25-24(28-30-31)26(36)32(27(25)37)19-11-13-20(14-12-19)34(38)39/h1-14,22,24-25H,15-16H2
InChIKey WZMALAQTTWYBPH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8982
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/1029958; Labnumber: Gbb-230; UZI_ID: UZI-008984
Temperature 308 °C