| SpectraBase Compound ID | 3rR5Vi3mG5v |
|---|---|
| InChI | InChI=1S/C13H14F3NO3/c1-3-20-12(19)8(2)17-11(18)9-4-6-10(7-5-9)13(14,15)16/h4-8H,3H2,1-2H3,(H,17,18) |
| InChIKey | GWHIAFUTEIQALU-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 | 7mildedLUad |
|---|---|
| Name | L-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/c1-3-20-12(19)8(2)17-11(18)9-4-6-10(7-5-9)13(14,15)16/h4-8H,3H2,1-2H3,(H,17,18) |
| InChIKey | GWHIAFUTEIQALU-UHFFFAOYSA-N |
| Molecular Weight | 289.254 g/mol |
| SMILES | C1=CC(=CC=C1C(NC(C)C(=O)OCC)=O)C(F)(F)F |