| SpectraBase Compound ID | BokTvd8cypS |
|---|---|
| InChI | InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16) |
| InChIKey | BURBNIPKSRJAIQ-UHFFFAOYSA-N |
| Mol Weight | 233.19 g/mol |
| Molecular Formula | C10H10F3NO2 |
| Exact Mass | 233.066363 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CDQFqVUoWhZ |
|---|---|
| Name | 3-(Trifluoromethyl)phenylalanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.066363053 u |
| Formula | C10H10F3NO2 |
| InChI | InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16) |
| InChIKey | BURBNIPKSRJAIQ-UHFFFAOYSA-N |
| Molecular Weight | 233.190 g/mol |
| SMILES | C(F)(F)(F)C1=CC(=CC=C1)CC(N)C(=O)O |