| SpectraBase Compound ID | HiRjJ05YR7Z |
|---|---|
| InChI | InChI=1S/C10H11N3S/c14-10-12-11-8-13(10)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,14) |
| InChIKey | APTHLTYPJMPFQM-UHFFFAOYSA-N |
| Mol Weight | 205.28 g/mol |
| Molecular Formula | C10H11N3S |
| Exact Mass | 205.067369 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BIYS4N7LKNo |
|---|---|
| Name | 4-(2-Phenylethyl)-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 | 205.067368540 u |
| Formula | C10H11N3S |
| InChI | InChI=1S/C10H11N3S/c14-10-12-11-8-13(10)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,14) |
| InChIKey | APTHLTYPJMPFQM-UHFFFAOYSA-N |
| Molecular Weight | 205.279 g/mol |
| SMILES | C=1(S)N(C=NN1)CCC1=CC=CC=C1 |