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1-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-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-(4-chlorophenyl)-5-(4-methoxyphenyl)-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 HgdBYtHCHc6
InChI InChI=1S/C28H22ClFN6O4/c1-40-21-11-7-17(8-12-21)23-14-22(16-5-9-18(29)10-6-16)32-36(23)24(37)15-34-26-25(31-33-34)27(38)35(28(26)39)20-4-2-3-19(30)13-20/h2-13,23,25-26H,14-15H2,1H3
InChIKey WMZZBRBEDNTNFA-UHFFFAOYSA-N
Mol Weight 560.97 g/mol
Molecular Formula C28H22ClFN6O4
Exact Mass 560.137509 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IdrF5mHxLoR
Name 1-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-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/C28H22ClFN6O4/c1-40-21-11-7-17(8-12-21)23-14-22(16-5-9-18(29)10-6-16)32-36(23)24(37)15-34-26-25(31-33-34)27(38)35(28(26)39)20-4-2-3-19(30)13-20/h2-13,23,25-26H,14-15H2,1H3
InChIKey WMZZBRBEDNTNFA-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_8996
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/1019806; Labnumber: GBB0108; UZI_ID: UZI-008998
Temperature 300 °C