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5-(3-bromophenyl)-1-{2-[5-(4-methoxyphenyl)-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-(3-bromophenyl)-1-{2-[5-(4-methoxyphenyl)-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 HdUYyTSof33
InChI InChI=1S/C28H23BrN6O4/c1-39-21-12-10-18(11-13-21)23-15-22(17-6-3-2-4-7-17)31-35(23)24(36)16-33-26-25(30-32-33)27(37)34(28(26)38)20-9-5-8-19(29)14-20/h2-14,23,25-26H,15-16H2,1H3
InChIKey TVJWUWLPKTVPTE-UHFFFAOYSA-N
Mol Weight 587.43 g/mol
Molecular Formula C28H23BrN6O4
Exact Mass 586.096416 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ABQSp7Vlxp2
Name 5-(3-bromophenyl)-1-{2-[5-(4-methoxyphenyl)-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/C28H23BrN6O4/c1-39-21-12-10-18(11-13-21)23-15-22(17-6-3-2-4-7-17)31-35(23)24(36)16-33-26-25(30-32-33)27(37)34(28(26)38)20-9-5-8-19(29)14-20/h2-14,23,25-26H,15-16H2,1H3
InChIKey TVJWUWLPKTVPTE-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14576
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/1019733; UBI_ID: UBI-014579
Temperature 300 °C