| SpectraBase Compound ID | 81EAUHaCFbW |
|---|---|
| InChI | InChI=1S/C9H7F3O3S/c10-9(11,12)16(14,15)6-8(13)7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | ZIHYNXVUDCBRRZ-UHFFFAOYSA-N |
| Mol Weight | 252.21 g/mol |
| Molecular Formula | C9H7F3O3S |
| Exact Mass | 252.0068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5r3ayimbOOs |
|---|---|
| Name | 1-Phenyl-2-triflyl-ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.006799745 u |
| Formula | C9H7F3O3S |
| InChI | InChI=1S/C9H7F3O3S/c10-9(11,12)16(14,15)6-8(13)7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | ZIHYNXVUDCBRRZ-UHFFFAOYSA-N |
| Molecular Weight | 252.207 g/mol |
| SMILES | C(S(CC(=O)C1=CC=CC=C1)(=O)=O)(F)(F)F |