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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(3-bromo-4-methylphenyl)amino]methyl]-, ethyl ester

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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(3-bromo-4-methylphenyl)amino]methyl]-, ethyl ester
SpectraBase Compound ID 4PjsBrrgT7K
InChI InChI=1S/C15H16BrN7O3/c1-3-25-15(24)12-11(7-18-9-5-4-8(2)10(16)6-9)23(22-19-12)14-13(17)20-26-21-14/h4-6,18H,3,7H2,1-2H3,(H2,17,20)
InChIKey UJHIADNNLJNJLM-UHFFFAOYSA-N
Mol Weight 422.24 g/mol
Molecular Formula C15H16BrN7O3
Exact Mass 421.0498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G6w3N4t27eL
Name 1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(3-bromo-4-methylphenyl)amino]methyl]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.049800400 u
Formula C15H16BrN7O3
InChI InChI=1S/C15H16BrN7O3/c1-3-25-15(24)12-11(7-18-9-5-4-8(2)10(16)6-9)23(22-19-12)14-13(17)20-26-21-14/h4-6,18H,3,7H2,1-2H3,(H2,17,20)
InChIKey UJHIADNNLJNJLM-UHFFFAOYSA-N
Molecular Weight 422.243 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14131
Solvent DMSO-d6
Source Vendor ID: NMR/10310517; Lab Info: VUR; Lab Number: VUR-0002346