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

View entire compound with spectra: 1 NMR

1-{2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
SpectraBase Compound ID LcvfwhNjKOE
InChI InChI=1S/C27H17F4N7O5/c28-16-10-17(29)22(31)24(21(16)30)36-26(40)23-25(27(36)41)35(34-32-23)12-20(39)37-19(14-6-8-15(9-7-14)38(42)43)11-18(33-37)13-4-2-1-3-5-13/h1-10,19,23,25H,11-12H2
InChIKey IFOHPAZUEJTUSB-UHFFFAOYSA-N
Mol Weight 595.47 g/mol
Molecular Formula C27H17F4N7O5
Exact Mass 595.122729 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D2ftirj6mzG
Name 1-{2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(2,3,5,6-tetrafluorophenyl)-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/C27H17F4N7O5/c28-16-10-17(29)22(31)24(21(16)30)36-26(40)23-25(27(36)41)35(34-32-23)12-20(39)37-19(14-6-8-15(9-7-14)38(42)43)11-18(33-37)13-4-2-1-3-5-13/h1-10,19,23,25H,11-12H2
InChIKey IFOHPAZUEJTUSB-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14670
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/1019939; UBI_ID: UBI-014673
Temperature 300 °C