| SpectraBase Compound ID | 35Gsw4BQygp |
|---|---|
| InChI | InChI=1S/C13H14F3NO3/c1-12(11(19)20-2,17-10(18)13(14,15)16)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,17,18) |
| InChIKey | QAWFLEIXKXBSNC-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 | KnY5NN3arMk |
|---|---|
| Name | .alpha.-Methyl-dl-phenylalanine, N-trifluoroacetyl-, methyl 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/c1-12(11(19)20-2,17-10(18)13(14,15)16)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,17,18) |
| InChIKey | QAWFLEIXKXBSNC-UHFFFAOYSA-N |
| Molecular Weight | 289.254 g/mol |
| SMILES | C1(=CC=CC=C1)CC(C)(NC(C(F)(F)F)=O)C(=O)OC |