| SpectraBase Compound ID | 8TxHstjDKg5 |
|---|---|
| InChI | InChI=1S/C11H13N3O2S/c1-8-4-9(2)11(10(3)5-8)17(15,16)14-7-12-6-13-14/h4-7H,1-3H3 |
| InChIKey | XNKYPZJMRHXJJQ-UHFFFAOYSA-N |
| Mol Weight | 251.3 g/mol |
| Molecular Formula | C11H13N3O2S |
| Exact Mass | 251.072848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JYhqw0gKlW2 |
|---|---|
| Name | 1-(2-Mesitylenesulfonyl)-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.072847843 u |
| Formula | C11H13N3O2S |
| InChI | InChI=1S/C11H13N3O2S/c1-8-4-9(2)11(10(3)5-8)17(15,16)14-7-12-6-13-14/h4-7H,1-3H3 |
| InChIKey | XNKYPZJMRHXJJQ-UHFFFAOYSA-N |
| Molecular Weight | 251.304 g/mol |
| SMILES | C1=NN(S(C=2C(=CC(=CC2C)C)C)(=O)=O)C=N1 |