| SpectraBase Compound ID | 11wYg5MYLQs |
|---|---|
| InChI | InChI=1S/C6H6F3N3OS/c1-12-3-10-11-5(12)14-2-4(13)6(7,8)9/h3H,2H2,1H3 |
| InChIKey | LKNFVAXKIODAIU-UHFFFAOYSA-N |
| Mol Weight | 225.19 g/mol |
| Molecular Formula | C6H6F3N3OS |
| Exact Mass | 225.018367 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1eD5YeaQVs |
|---|---|
| Name | Propan-2-one, 1,1,1-trifluoro-3-(4-methyl-1,2,4-triazol-2-yl)- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6F3N3OS |
| InChI | InChI=1S/C6H6F3N3OS/c1-12-3-10-11-5(12)14-2-4(13)6(7,8)9/h3H,2H2,1H3 |
| InChIKey | LKNFVAXKIODAIU-UHFFFAOYSA-N |
| Molecular Weight | 225.189 g/mol |
| SMILES | C(C(=O)CSc1nnc[n]1C)(F)(F)F |
| SPLASH | splash10-0a6r-9400000000-c62c8dc401d998836aa8 |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 1,1,1-trifluoro-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one 1,1,1-trifluoro-3-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-propanone 1,1,1-trifluoro-3-[(4-methyl-1,2,4-triazol-3-yl)thio]acetone 1,1,1-Trifluoro-3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetone 1,1,1-tris(fluoranyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one |
| Wiley ID | 1433092 |