| SpectraBase Compound ID | 4sQZpiBljyQ |
|---|---|
| InChI | InChI=1S/C14H16F3NO3/c1-3-18(13(20)14(15,16)17)11(12(19)21-2)9-10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3 |
| InChIKey | GPCGASAYEXVYCM-UHFFFAOYSA-N |
| Mol Weight | 303.28 g/mol |
| Molecular Formula | C14H16F3NO3 |
| Exact Mass | 303.108228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJKM6W2XDBr |
|---|---|
| Name | N-Ethyl-N-trifluoroacetyl-L-phenylalanine, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.108227865 u |
| Formula | C14H16F3NO3 |
| InChI | InChI=1S/C14H16F3NO3/c1-3-18(13(20)14(15,16)17)11(12(19)21-2)9-10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3 |
| InChIKey | GPCGASAYEXVYCM-UHFFFAOYSA-N |
| Molecular Weight | 303.281 g/mol |
| SMILES | C1(=CC=CC=C1)CC(C(OC)=O)N(C(=O)C(F)(F)F)CC |