| SpectraBase Compound ID | 2jqIApx48qo |
|---|---|
| InChI | InChI=1S/C11H9N3S/c1-2-8-15-11-12-10(13-14-11)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,12,13,14) |
| InChIKey | BOAHUXKIPLRPJN-UHFFFAOYSA-N |
| Mol Weight | 215.27 g/mol |
| Molecular Formula | C11H9N3S |
| Exact Mass | 215.051718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HPsBzj83IjC |
|---|---|
| Name | 5-Phenyl-3-(prop-2-ynylthio)-1H-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.051718476 u |
| Formula | C11H9N3S |
| InChI | InChI=1S/C11H9N3S/c1-2-8-15-11-12-10(13-14-11)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,12,13,14) |
| InChIKey | BOAHUXKIPLRPJN-UHFFFAOYSA-N |
| Molecular Weight | 215.274 g/mol |
| SMILES | C1(=NC(=NN1)SCC#C)C1=CC=CC=C1 |