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1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-5-(2,3,4,5,6-pentafluorophenyl)-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-(2,3,4,5,6-pentafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
SpectraBase Compound ID FpiDrNJ2HGu
InChI InChI=1S/C27H17F5N6O3/c28-18-19(29)21(31)24(22(32)20(18)30)37-26(40)23-25(27(37)41)36(35-33-23)12-17(39)38-16(14-9-5-2-6-10-14)11-15(34-38)13-7-3-1-4-8-13/h1-10,16,23,25H,11-12H2
InChIKey WDLIANJPJMPVOI-UHFFFAOYSA-N
Mol Weight 568.46 g/mol
Molecular Formula C27H17F5N6O3
Exact Mass 568.128229 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5aIFvqo79q9
Name 1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-5-(2,3,4,5,6-pentafluorophenyl)-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/C27H17F5N6O3/c28-18-19(29)21(31)24(22(32)20(18)30)37-26(40)23-25(27(37)41)36(35-33-23)12-17(39)38-16(14-9-5-2-6-10-14)11-15(34-38)13-7-3-1-4-8-13/h1-10,16,23,25H,11-12H2
InChIKey WDLIANJPJMPVOI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8986
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/1032038; Labnumber: Gbb-243; UZI_ID: UZI-008988
Temperature 308 °C