![5-Amino-3-[(2,6-dichlorobenzyl)thio]-1H-1,2,4-triazole](/api/spectrum/1535PsYuyfq/structure.png?h=300&w=458 "5-Amino-3-[(2,6-dichlorobenzyl)thio]-1H-1,2,4-triazole")
| SpectraBase Compound ID | KwvtN2KKSkk |
|---|---|
| InChI | InChI=1S/C9H8Cl2N4S/c10-6-2-1-3-7(11)5(6)4-16-9-13-8(12)14-15-9/h1-3H,4H2,(H3,12,13,14,15) |
| InChIKey | QBRKGCKKPOXXRO-UHFFFAOYSA-N |
| Mol Weight | 275.16 g/mol |
| Molecular Formula | C9H8Cl2N4S |
| Exact Mass | 273.984673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1535PsYuyfq |
|---|---|
| Name | 5-Amino-3-[(2,6-dichlorobenzyl)thio]-1H-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.984672848 u |
| Formula | C9H8Cl2N4S |
| InChI | InChI=1S/C9H8Cl2N4S/c10-6-2-1-3-7(11)5(6)4-16-9-13-8(12)14-15-9/h1-3H,4H2,(H3,12,13,14,15) |
| InChIKey | QBRKGCKKPOXXRO-UHFFFAOYSA-N |
| SMILES | NC1=NC(SCC2=C(C=CC=C2Cl)Cl)=NN1 |