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5-amino-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-(3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
SpectraBase Compound ID 6f40BFLs48u
InChI InChI=1S/C20H20N6O5/c1-29-14-4-2-3-12(7-14)9-22-20(28)18-19(21)26(25-24-18)10-17(27)23-13-5-6-15-16(8-13)31-11-30-15/h2-8H,9-11,21H2,1H3,(H,22,28)(H,23,27)
InChIKey SWEFATUQTZFINV-UHFFFAOYSA-N
Mol Weight 424.42 g/mol
Molecular Formula C20H20N6O5
Exact Mass 424.149518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3HAk7xfOKaM
Name 5-amino-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-(3-methoxybenzyl)-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 424.149517763 u
Formula C20H20N6O5
InChI InChI=1S/C20H20N6O5/c1-29-14-4-2-3-12(7-14)9-22-20(28)18-19(21)26(25-24-18)10-17(27)23-13-5-6-15-16(8-13)31-11-30-15/h2-8H,9-11,21H2,1H3,(H,22,28)(H,23,27)
InChIKey SWEFATUQTZFINV-UHFFFAOYSA-N
Molecular Weight 424.417 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7959
Solvent DMSO-d6
Source Vendor ID: NMR/13218893