| SpectraBase Compound ID | 6npWC7Gzt3g |
|---|---|
| InChI | InChI=1S/C13H17N3S/c1-13(2,3)10-7-5-9(6-8-10)11-14-15-12(17)16(11)4/h5-8H,1-4H3,(H,15,17) |
| InChIKey | WBHKPLKLHZOBRB-UHFFFAOYSA-N |
| Mol Weight | 247.36 g/mol |
| Molecular Formula | C13H17N3S |
| Exact Mass | 247.114319 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1r9oGHaINEr |
|---|---|
| Name | 3-(4-tert-butylphenyl)-4-methyl-1H-1,2,4-triazole-5-thione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H17N3S |
| InChI | InChI=1S/C13H17N3S/c1-13(2,3)10-7-5-9(6-8-10)11-14-15-12(17)16(11)4/h5-8H,1-4H3,(H,15,17) |
| InChIKey | WBHKPLKLHZOBRB-UHFFFAOYSA-N |
| Molecular Weight | 247.360 g/mol |
| SMILES | Sc1[n](c(nn1)-c1ccc(C(C)(C)C)cc1)C |
| SPLASH | splash10-000t-0190000000-3164cb2929b6bbbd87e5 |
| Wiley ID | 1451052 |