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1H-1,2,3-triazole-4-carboxamide, 5-amino-1-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)-

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1H-1,2,3-triazole-4-carboxamide, 5-amino-1-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)-
SpectraBase Compound ID 1LhkYTjp9VD
InChI InChI=1S/C17H16BrN5O3/c1-25-13-8-5-11(9-14(13)26-2)20-17(24)15-16(19)23(22-21-15)12-6-3-10(18)4-7-12/h3-9H,19H2,1-2H3,(H,20,24)
InChIKey KGKOAUXPLPDUSY-UHFFFAOYSA-N
Mol Weight 418.25 g/mol
Molecular Formula C17H16BrN5O3
Exact Mass 417.043652 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JoSuPq6ZWER
Name 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.043652392 u
Formula C17H16BrN5O3
InChI InChI=1S/C17H16BrN5O3/c1-25-13-8-5-11(9-14(13)26-2)20-17(24)15-16(19)23(22-21-15)12-6-3-10(18)4-7-12/h3-9H,19H2,1-2H3,(H,20,24)
InChIKey KGKOAUXPLPDUSY-UHFFFAOYSA-N
Molecular Weight 418.251 g/mol
SMILES NC1=C(C(NC=2C=C(OC)C(=CC2)OC)=O)N=NN1C=1C=CC(=CC1)Br