| SpectraBase Compound ID | GPqaBUQDSky |
|---|---|
| InChI | InChI=1S/C5H4F3NO3/c1-2(3(10)11)9-4(12)5(6,7)8/h1H2,(H,9,12)(H,10,11) |
| InChIKey | HDJNMBFPAALTIW-UHFFFAOYSA-N |
| Mol Weight | 183.09 g/mol |
| Molecular Formula | C5H4F3NO3 |
| Exact Mass | 183.014327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7EUmZcMxaRm |
|---|---|
| Name | Propenoic acid, 2-trifluoroacetylamino- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.014327479 u |
| Formula | C5H4F3NO3 |
| InChI | InChI=1S/C5H4F3NO3/c1-2(3(10)11)9-4(12)5(6,7)8/h1H2,(H,9,12)(H,10,11) |
| InChIKey | HDJNMBFPAALTIW-UHFFFAOYSA-N |
| Molecular Weight | 183.086 g/mol |
| SMILES | C=C(C(=O)O)NC(=O)C(F)(F)F |