| SpectraBase Compound ID | DIJpaTYxVP0 |
|---|---|
| InChI | InChI=1S/C11H11F3N2OS/c12-11(13,14)9(17)16-10(18)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,15,16,17,18) |
| InChIKey | OFNCTGZGMMDYOE-UHFFFAOYSA-N |
| Mol Weight | 276.28 g/mol |
| Molecular Formula | C11H11F3N2OS |
| Exact Mass | 276.054419 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2R4afk1fn9k |
|---|---|
| Name | 2,2,2-Trifluoro-N-((2-phenylethyl)carbamothioyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.054418644 u |
| Formula | C11H11F3N2OS |
| InChI | InChI=1S/C11H11F3N2OS/c12-11(13,14)9(17)16-10(18)15-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,15,16,17,18) |
| InChIKey | OFNCTGZGMMDYOE-UHFFFAOYSA-N |
| Molecular Weight | 276.277 g/mol |
| SMILES | C(=S)(NCCC1=CC=CC=C1)NC(C(F)(F)F)=O |