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1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-5-(3-fluorophenyl)-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-(3-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
SpectraBase Compound ID E9yFwGOoqnS
InChI InChI=1S/C27H21FN6O3/c28-19-12-7-13-20(14-19)33-26(36)24-25(27(33)37)32(31-29-24)16-23(35)34-22(18-10-5-2-6-11-18)15-21(30-34)17-8-3-1-4-9-17/h1-14,22,24-25H,15-16H2
InChIKey YUWZFCHSBDVHMO-UHFFFAOYSA-N
Mol Weight 496.5 g/mol
Molecular Formula C27H21FN6O3
Exact Mass 496.165917 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LH3RhyCOTG6
Name 1-[2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl]-5-(3-fluorophenyl)-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/C27H21FN6O3/c28-19-12-7-13-20(14-19)33-26(36)24-25(27(33)37)32(31-29-24)16-23(35)34-22(18-10-5-2-6-11-18)15-21(30-34)17-8-3-1-4-9-17/h1-14,22,24-25H,15-16H2
InChIKey YUWZFCHSBDVHMO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8981
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/1030487; Labnumber: Gbb-032; UZI_ID: UZI-008983
Temperature 308 °C