| SpectraBase Compound ID | LNDm5KGB7Kr |
|---|---|
| InChI | InChI=1S/C10H10ClN3OS/c11-8-3-1-7(2-4-8)9-12-10(14-13-9)16-6-5-15/h1-4,15H,5-6H2,(H,12,13,14) |
| InChIKey | DAWRYGBXYYQKBX-UHFFFAOYSA-N |
| Mol Weight | 255.72 g/mol |
| Molecular Formula | C10H10ClN3OS |
| Exact Mass | 255.023311 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJV3GESlFoX |
|---|---|
| Name | 3-(p-Chlorophenyl)-5-(.beta.-hydroxyethylmercapto)-S-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.023310827 u |
| Formula | C10H10ClN3OS |
| InChI | InChI=1S/C10H10ClN3OS/c11-8-3-1-7(2-4-8)9-12-10(14-13-9)16-6-5-15/h1-4,15H,5-6H2,(H,12,13,14) |
| InChIKey | DAWRYGBXYYQKBX-UHFFFAOYSA-N |
| Molecular Weight | 255.723 g/mol |
| SMILES | C=1(N=C(NN1)SCCO)C=1C=CC(=CC1)Cl |