| SpectraBase Compound ID | KHbA57WH6Ak |
|---|---|
| InChI | InChI=1S/C9H8BrN5O/c10-5-1-3-6(4-2-5)15-8(11)7(9(12)16)13-14-15/h1-4H,11H2,(H2,12,16) |
| InChIKey | PYCFNTNZKIKTJG-UHFFFAOYSA-N |
| Mol Weight | 282.1 g/mol |
| Molecular Formula | C9H8BrN5O |
| Exact Mass | 280.991223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41sbvLYSeb0 |
|---|---|
| Name | 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-(4-bromophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.991222897 u |
| Formula | C9H8BrN5O |
| InChI | InChI=1S/C9H8BrN5O/c10-5-1-3-6(4-2-5)15-8(11)7(9(12)16)13-14-15/h1-4H,11H2,(H2,12,16) |
| InChIKey | PYCFNTNZKIKTJG-UHFFFAOYSA-N |
| Molecular Weight | 282.101 g/mol |
| SMILES | NC=1N(N=NC1C(=O)N)C1=CC=C(C=C1)Br |