![3-[(2-Phenylethyl)sulfanyl]-4H-1,2,4-triazole](/api/spectrum/9m5nfk61zsZ/structure.png?h=300&w=458 "3-[(2-Phenylethyl)sulfanyl]-4H-1,2,4-triazole")
| SpectraBase Compound ID | 781XbMhVHuM |
|---|---|
| InChI | InChI=1S/C10H11N3S/c1-2-4-9(5-3-1)6-7-14-10-11-8-12-13-10/h1-5,8H,6-7H2,(H,11,12,13) |
| InChIKey | JQVFRKKJRZOYBT-UHFFFAOYSA-N |
| Mol Weight | 205.28 g/mol |
| Molecular Formula | C10H11N3S |
| Exact Mass | 205.067369 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9m5nfk61zsZ |
|---|---|
| Name | 3-[(2-Phenylethyl)sulfanyl]-4H-1,2,4-triazole |
| 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/c1-2-4-9(5-3-1)6-7-14-10-11-8-12-13-10/h1-5,8H,6-7H2,(H,11,12,13) |
| InChIKey | JQVFRKKJRZOYBT-UHFFFAOYSA-N |
| Molecular Weight | 205.279 g/mol |
| SMILES | C(SC=1NC=NN1)CC1=CC=CC=C1 |