| SpectraBase Compound ID | KchDRaM5QcS |
|---|---|
| InChI | InChI=1S/C10H10BrN5O/c1-13-10(17)8-9(12)16(15-14-8)7-4-2-3-6(11)5-7/h2-5H,12H2,1H3,(H,13,17) |
| InChIKey | NHNAYDCJHCGKMD-UHFFFAOYSA-N |
| Mol Weight | 296.13 g/mol |
| Molecular Formula | C10H10BrN5O |
| Exact Mass | 295.006873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJLSToY8jlq |
|---|---|
| Name | 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-(3-bromophenyl)-N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.006872961 u |
| Formula | C10H10BrN5O |
| InChI | InChI=1S/C10H10BrN5O/c1-13-10(17)8-9(12)16(15-14-8)7-4-2-3-6(11)5-7/h2-5H,12H2,1H3,(H,13,17) |
| InChIKey | NHNAYDCJHCGKMD-UHFFFAOYSA-N |
| Molecular Weight | 296.128 g/mol |
| SMILES | N(C(C=1N=NN(C1N)C1=CC(Br)=CC=C1)=O)C |