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5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-oxo-2-(2-toluidino)ethyl]-1H-1,2,3-triazole-4-carboxamide
SpectraBase Compound ID FzhlZmxQ4HH
InChI InChI=1S/C20H20N6O4/c1-12-4-2-3-5-14(12)23-17(27)10-26-19(21)18(24-25-26)20(28)22-9-13-6-7-15-16(8-13)30-11-29-15/h2-8H,9-11,21H2,1H3,(H,22,28)(H,23,27)
InChIKey GRQDZPSXKNNSEL-UHFFFAOYSA-N
Mol Weight 408.42 g/mol
Molecular Formula C20H20N6O4
Exact Mass 408.154603 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KCzgkaiCijN
Name 5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-oxo-2-(2-toluidino)ethyl]-1H-1,2,3-triazole-4-carboxamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.154603144 u
Formula C20H20N6O4
InChI InChI=1S/C20H20N6O4/c1-12-4-2-3-5-14(12)23-17(27)10-26-19(21)18(24-25-26)20(28)22-9-13-6-7-15-16(8-13)30-11-29-15/h2-8H,9-11,21H2,1H3,(H,22,28)(H,23,27)
InChIKey GRQDZPSXKNNSEL-UHFFFAOYSA-N
Molecular Weight 408.418 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6934
Solvent DMSO-d6
Source Vendor ID: NMR/12329387