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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-methoxyphenyl)acetamide
SpectraBase Compound ID CNMJzd3IHER
InChI InChI=1S/C19H16ClN5O4/c1-29-14-8-3-2-7-13(14)21-15(26)10-24-17-16(22-23-24)18(27)25(19(17)28)12-6-4-5-11(20)9-12/h2-9,16-17H,10H2,1H3,(H,21,26)
InChIKey SWZGJZOFSOIGSX-UHFFFAOYSA-N
Mol Weight 413.82 g/mol
Molecular Formula C19H16ClN5O4
Exact Mass 413.089082 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5OC40zH4D1I
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-methoxyphenyl)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 413.089081711 u
Formula C19H16ClN5O4
InChI InChI=1S/C19H16ClN5O4/c1-29-14-8-3-2-7-13(14)21-15(26)10-24-17-16(22-23-24)18(27)25(19(17)28)12-6-4-5-11(20)9-12/h2-9,16-17H,10H2,1H3,(H,21,26)
InChIKey SWZGJZOFSOIGSX-UHFFFAOYSA-N
Molecular Weight 413.821 g/mol
NMR Offset 17.9982
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9769
Solvent DMSO-d6
Source Vendor ID: NMR/13229811