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5-(4-chlorophenyl)-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-chlorophenyl)-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 Eq3ocoJPyG0
InChI InChI=1S/C27H20ClN7O5/c28-18-8-12-19(13-9-18)33-26(37)24-25(27(33)38)32(31-29-24)15-23(36)34-22(17-6-10-20(11-7-17)35(39)40)14-21(30-34)16-4-2-1-3-5-16/h1-13,22,24-25H,14-15H2
InChIKey CSPYZJPYMMHLHI-UHFFFAOYSA-N
Mol Weight 557.95 g/mol
Molecular Formula C27H20ClN7O5
Exact Mass 557.121444 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CrEaqB34L8F
Name 5-(4-chlorophenyl)-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/C27H20ClN7O5/c28-18-8-12-19(13-9-18)33-26(37)24-25(27(33)38)32(31-29-24)15-23(36)34-22(17-6-10-20(11-7-17)35(39)40)14-21(30-34)16-4-2-1-3-5-16/h1-13,22,24-25H,14-15H2
InChIKey CSPYZJPYMMHLHI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10785
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: 1003527; UBI_ID: UBI-010788
Temperature 318 °C