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5-amino-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-(2-thienylmethyl)-1H-1,2,3-triazole-4-carboxamide
SpectraBase Compound ID ACpcUXXjcW3
InChI InChI=1S/C17H16N6O4S/c18-16-15(17(25)19-7-11-2-1-5-28-11)21-22-23(16)8-14(24)20-10-3-4-12-13(6-10)27-9-26-12/h1-6H,7-9,18H2,(H,19,25)(H,20,24)
InChIKey OZDFLBIZTPUNML-UHFFFAOYSA-N
Mol Weight 400.41 g/mol
Molecular Formula C17H16N6O4S
Exact Mass 400.095374 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GHo6kt5vta9
Name 5-amino-1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-(2-thienylmethyl)-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 400.095374189 u
Formula C17H16N6O4S
InChI InChI=1S/C17H16N6O4S/c18-16-15(17(25)19-7-11-2-1-5-28-11)21-22-23(16)8-14(24)20-10-3-4-12-13(6-10)27-9-26-12/h1-6H,7-9,18H2,(H,19,25)(H,20,24)
InChIKey OZDFLBIZTPUNML-UHFFFAOYSA-N
Molecular Weight 400.413 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7961
Solvent DMSO-d6
Source Vendor ID: NMR/13218895