| SpectraBase Compound ID | BZN6vfyQl6J |
|---|---|
| InChI | InChI=1S/C8H7BrN4S/c9-6-3-1-5(2-4-6)7-11-12-8(14)13(7)10/h1-4H,10H2,(H,12,14) |
| InChIKey | IGIGQDMDHXLNRL-UHFFFAOYSA-N |
| Mol Weight | 271.14 g/mol |
| Molecular Formula | C8H7BrN4S |
| Exact Mass | 269.95748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEy0G0QKvJ4 |
|---|---|
| Name | 4-Amino-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.957480415 u |
| Formula | C8H7BrN4S |
| InChI | InChI=1S/C8H7BrN4S/c9-6-3-1-5(2-4-6)7-11-12-8(14)13(7)10/h1-4H,10H2,(H,12,14) |
| InChIKey | IGIGQDMDHXLNRL-UHFFFAOYSA-N |
| SMILES | C=1(S)N(C(=NN1)C1=CC=C(C=C1)Br)N |