![5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol](/api/spectrum/9sHZJfG3xu7/structure.png?h=300&w=458 "5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol")
| SpectraBase Compound ID | 6OpHst8UT25 |
|---|---|
| InChI | InChI=1S/C13H17N3OS/c1-4-16-12(14-15-13(16)18)8-17-11-7-9(2)5-6-10(11)3/h5-7H,4,8H2,1-3H3,(H,15,18) |
| InChIKey | DTCLFZJJHNANPH-UHFFFAOYSA-N |
| Mol Weight | 263.36 g/mol |
| Molecular Formula | C13H17N3OS |
| Exact Mass | 263.109233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9sHZJfG3xu7 |
|---|---|
| Name | 5-[(2,5-Dimethylphenoxy)methyl]-4-ethyl-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 | 263.109233352 u |
| Formula | C13H17N3OS |
| InChI | InChI=1S/C13H17N3OS/c1-4-16-12(14-15-13(16)18)8-17-11-7-9(2)5-6-10(11)3/h5-7H,4,8H2,1-3H3,(H,15,18) |
| InChIKey | DTCLFZJJHNANPH-UHFFFAOYSA-N |
| Molecular Weight | 263.359 g/mol |
| SMILES | SC=1N(C(=NN1)COC=1C(=CC=C(C1)C)C)CC |