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2-(5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)-N-(2,4-difluorophenyl)acetamide

View entire compound with spectra: 1 NMR

2-(5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)-N-(2,4-difluorophenyl)acetamide
SpectraBase Compound ID 6F3miZij50S
InChI InChI=1S/C18H12ClF2N5O3/c19-9-2-1-3-11(6-9)26-17(28)15-16(18(26)29)25(24-23-15)8-14(27)22-13-5-4-10(20)7-12(13)21/h1-7,15-16H,8H2,(H,22,27)
InChIKey WGRFQZYFAWLELV-UHFFFAOYSA-N
Mol Weight 419.78 g/mol
Molecular Formula C18H12ClF2N5O3
Exact Mass 419.059673 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dkga2FAyXl
Name 2-(5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)-N-(2,4-difluorophenyl)acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.059673289 u
Formula C18H12ClF2N5O3
InChI InChI=1S/C18H12ClF2N5O3/c19-9-2-1-3-11(6-9)26-17(28)15-16(18(26)29)25(24-23-15)8-14(27)22-13-5-4-10(20)7-12(13)21/h1-7,15-16H,8H2,(H,22,27)
InChIKey WGRFQZYFAWLELV-UHFFFAOYSA-N
Molecular Weight 419.776 g/mol
NMR Offset 17.9993
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9781
Solvent DMSO-d6
Source Vendor ID: NMR/13229824