| SpectraBase Compound ID | 84lqC1gzgx |
|---|---|
| InChI | InChI=1S/C13H14F3NO3/c1-2-20-11(18)7-8-17-12(19)9-3-5-10(6-4-9)13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,19) |
| InChIKey | BELQGTLEMRHCFH-UHFFFAOYSA-N |
| Mol Weight | 289.25 g/mol |
| Molecular Formula | C13H14F3NO3 |
| Exact Mass | 289.092578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8X33Jjz6RJC |
|---|---|
| Name | .beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.092577801 u |
| Formula | C13H14F3NO3 |
| InChI | InChI=1S/C13H14F3NO3/c1-2-20-11(18)7-8-17-12(19)9-3-5-10(6-4-9)13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,19) |
| InChIKey | BELQGTLEMRHCFH-UHFFFAOYSA-N |
| Molecular Weight | 289.254 g/mol |
| SMILES | C1=CC(=CC=C1C(NCCC(OCC)=O)=O)C(F)(F)F |