| SpectraBase Compound ID | 9WuaRB0Ax2D |
|---|---|
| InChI | InChI=1S/C9H8ClN3S/c1-13-8(11-12-9(13)14)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,12,14) |
| InChIKey | DNWADAKXAKNOFG-UHFFFAOYSA-N |
| Mol Weight | 225.7 g/mol |
| Molecular Formula | C9H8ClN3S |
| Exact Mass | 225.012746 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKQ8N4Nrb0J |
|---|---|
| Name | 5-(2-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.012746144 u |
| Formula | C9H8ClN3S |
| InChI | InChI=1S/C9H8ClN3S/c1-13-8(11-12-9(13)14)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,12,14) |
| InChIKey | DNWADAKXAKNOFG-UHFFFAOYSA-N |
| Molecular Weight | 225.697 g/mol |
| SMILES | C=1(S)N(C(=NN1)C1=C(C=CC=C1)Cl)C |