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N-(4-chlorophenyl)-2-(5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
SpectraBase Compound ID 3OOyd5IUmf6
InChI InChI=1S/C18H13ClFN5O3/c19-10-4-6-12(7-5-10)21-14(26)9-24-16-15(22-23-24)17(27)25(18(16)28)13-3-1-2-11(20)8-13/h1-8,15-16H,9H2,(H,21,26)
InChIKey CMKVAKQBVKWPIB-UHFFFAOYSA-N
Mol Weight 401.79 g/mol
Molecular Formula C18H13ClFN5O3
Exact Mass 401.069095 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6kpgA05bEzg
Name N-(4-chlorophenyl)-2-(5-(3-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetamide
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/C18H13ClFN5O3/c19-10-4-6-12(7-5-10)21-14(26)9-24-16-15(22-23-24)17(27)25(18(16)28)13-3-1-2-11(20)8-13/h1-8,15-16H,9H2,(H,21,26)
InChIKey CMKVAKQBVKWPIB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9045
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/1262565; Labnumber: Gbb0291; UZI_ID: UZI-009047
Temperature 318 °C