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1-{2-[3-(4-chlorophenyl)-5-phenyl-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-phenyl-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 4qUY36hEk00
InChI InChI=1S/C27H20ClFN6O3/c28-18-11-9-16(10-12-18)21-14-22(17-5-2-1-3-6-17)35(31-21)23(36)15-33-25-24(30-32-33)26(37)34(27(25)38)20-8-4-7-19(29)13-20/h1-13,22,24-25H,14-15H2
InChIKey SCOSXYXVAOCYEM-UHFFFAOYSA-N
Mol Weight 530.95 g/mol
Molecular Formula C27H20ClFN6O3
Exact Mass 530.126944 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3AmHcD23RqZ
Name 1-{2-[3-(4-chlorophenyl)-5-phenyl-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/C27H20ClFN6O3/c28-18-11-9-16(10-12-18)21-14-22(17-5-2-1-3-6-17)35(31-21)23(36)15-33-25-24(30-32-33)26(37)34(27(25)38)20-8-4-7-19(29)13-20/h1-13,22,24-25H,14-15H2
InChIKey SCOSXYXVAOCYEM-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9005
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/1024534; Labnumber: GBB0157; UZI_ID: UZI-009007
Temperature 308 °C