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1-{2-[5-(4-methoxyphenyl)-3-phenyl-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

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1-{2-[5-(4-methoxyphenyl)-3-phenyl-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 LEYDFaEldRC
InChI InChI=1S/C28H19F5N6O4/c1-43-15-9-7-14(8-10-15)17-11-16(13-5-3-2-4-6-13)35-39(17)18(40)12-37-26-24(34-36-37)27(41)38(28(26)42)25-22(32)20(30)19(29)21(31)23(25)33/h2-10,17,24,26H,11-12H2,1H3
InChIKey ZZNPIEREKWRSKP-UHFFFAOYSA-N
Mol Weight 598.49 g/mol
Molecular Formula C28H19F5N6O4
Exact Mass 598.138794 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Grxwe6dwn6C
Name 1-{2-[5-(4-methoxyphenyl)-3-phenyl-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/C28H19F5N6O4/c1-43-15-9-7-14(8-10-15)17-11-16(13-5-3-2-4-6-13)35-39(17)18(40)12-37-26-24(34-36-37)27(41)38(28(26)42)25-22(32)20(30)19(29)21(31)23(25)33/h2-10,17,24,26H,11-12H2,1H3
InChIKey ZZNPIEREKWRSKP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10783
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: 1003103; UBI_ID: UBI-010786
Temperature 318 °C