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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-methylphenyl)acetamide
SpectraBase Compound ID ADZfS2noFOn
InChI InChI=1S/C19H16ClN5O3/c1-11-4-2-6-13(8-11)21-15(26)10-24-17-16(22-23-24)18(27)25(19(17)28)14-7-3-5-12(20)9-14/h2-9,16-17H,10H2,1H3,(H,21,26)
InChIKey QQEGIWFIPAGCEK-UHFFFAOYSA-N
Mol Weight 397.82 g/mol
Molecular Formula C19H16ClN5O3
Exact Mass 397.094167 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4OcneXDptkv
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-methylphenyl)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 397.094167092 u
Formula C19H16ClN5O3
InChI InChI=1S/C19H16ClN5O3/c1-11-4-2-6-13(8-11)21-15(26)10-24-17-16(22-23-24)18(27)25(19(17)28)14-7-3-5-12(20)9-14/h2-9,16-17H,10H2,1H3,(H,21,26)
InChIKey QQEGIWFIPAGCEK-UHFFFAOYSA-N
Molecular Weight 397.822 g/mol
NMR Offset 17.9986
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9783
Solvent DMSO-d6
Source Vendor ID: NMR/13229826