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pyrrolo[3,4-d][1,2,3]triazole-1-acetamide, 5-(3-chlorophenyl)-N-(3,4-dimethylphenyl)-1,3a,4,5,6,6a-hexahydro-4,6-dioxo-
SpectraBase Compound ID 93yJi7JXRjg
InChI InChI=1S/C20H18ClN5O3/c1-11-6-7-14(8-12(11)2)22-16(27)10-25-18-17(23-24-25)19(28)26(20(18)29)15-5-3-4-13(21)9-15/h3-9,17-18H,10H2,1-2H3,(H,22,27)
InChIKey VBILJFBHKIAMTA-UHFFFAOYSA-N
Mol Weight 411.85 g/mol
Molecular Formula C20H18ClN5O3
Exact Mass 411.109817 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3rKqOgxwqLd
Name pyrrolo[3,4-d][1,2,3]triazole-1-acetamide, 5-(3-chlorophenyl)-N-(3,4-dimethylphenyl)-1,3a,4,5,6,6a-hexahydro-4,6-dioxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.109817157 u
Formula C20H18ClN5O3
InChI InChI=1S/C20H18ClN5O3/c1-11-6-7-14(8-12(11)2)22-16(27)10-25-18-17(23-24-25)19(28)26(20(18)29)15-5-3-4-13(21)9-15/h3-9,17-18H,10H2,1-2H3,(H,22,27)
InChIKey VBILJFBHKIAMTA-UHFFFAOYSA-N
Molecular Weight 411.849 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_54
Solvent DMSO-d6
Source Vendor ID: NMR/13238406