| SpectraBase Compound ID | 8IbPdwQn9vi |
|---|---|
| InChI | InChI=1S/C12H12F3NO3/c1-16(11(19)12(13,14)15)9(10(17)18)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,17,18) |
| InChIKey | MBSWYWHAZUQEQE-UHFFFAOYSA-N |
| Mol Weight | 275.23 g/mol |
| Molecular Formula | C12H12F3NO3 |
| Exact Mass | 275.076928 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jr4TcSl4WVY |
|---|---|
| Name | L-Phenylalanine, N-methyl-N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.076927736 u |
| Formula | C12H12F3NO3 |
| InChI | InChI=1S/C12H12F3NO3/c1-16(11(19)12(13,14)15)9(10(17)18)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,17,18) |
| InChIKey | MBSWYWHAZUQEQE-UHFFFAOYSA-N |
| Molecular Weight | 275.227 g/mol |
| SMILES | C1(=CC=CC=C1)CC(C(O)=O)N(C)C(=O)C(F)(F)F |