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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-(3-fluorophenyl)acetamide
SpectraBase Compound ID 3Yj3dhI7ACO
InChI InChI=1S/C18H13ClFN5O3/c19-10-3-1-6-13(7-10)25-17(27)15-16(18(25)28)24(23-22-15)9-14(26)21-12-5-2-4-11(20)8-12/h1-8,15-16H,9H2,(H,21,26)
InChIKey XDFABBKPWDMYOO-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 9FEnV2tEtu0
Name 2-(5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)-N-(3-fluorophenyl)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 401.069095159 u
Formula C18H13ClFN5O3
InChI InChI=1S/C18H13ClFN5O3/c19-10-3-1-6-13(7-10)25-17(27)15-16(18(25)28)24(23-22-15)9-14(26)21-12-5-2-4-11(20)8-12/h1-8,15-16H,9H2,(H,21,26)
InChIKey XDFABBKPWDMYOO-UHFFFAOYSA-N
Molecular Weight 401.785 g/mol
NMR Offset 18.0001
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9776
Solvent DMSO-d6
Source Vendor ID: NMR/13229818