![3-(4-Methoxybenzylsulfanyl)-4H-[1,2,4]triazole](/api/spectrum/KlCsRGMsL2k/structure.png?h=300&w=458 "3-(4-Methoxybenzylsulfanyl)-4H-[1,2,4]triazole")
| SpectraBase Compound ID | IR0pcZmXqsb |
|---|---|
| InChI | InChI=1S/C10H11N3OS/c1-14-9-4-2-8(3-5-9)6-15-10-11-7-12-13-10/h2-5,7H,6H2,1H3,(H,11,12,13) |
| InChIKey | KFYAPEBBSZVGIF-UHFFFAOYSA-N |
| Mol Weight | 221.28 g/mol |
| Molecular Formula | C10H11N3OS |
| Exact Mass | 221.062283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KlCsRGMsL2k |
|---|---|
| Name | 3-(4-Methoxybenzylsulfanyl)-4H-[1,2,4]triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.062283159 u |
| Formula | C10H11N3OS |
| InChI | InChI=1S/C10H11N3OS/c1-14-9-4-2-8(3-5-9)6-15-10-11-7-12-13-10/h2-5,7H,6H2,1H3,(H,11,12,13) |
| InChIKey | KFYAPEBBSZVGIF-UHFFFAOYSA-N |
| Molecular Weight | 221.278 g/mol |
| SMILES | C1=NN=C(N1)SCC1=CC=C(C=C1)OC |