| SpectraBase Compound ID | GM8kcSYzjEU |
|---|---|
| InChI | InChI=1S/C16H20F3NO3/c1-3-4-10-23-14(21)13(11-12-8-6-5-7-9-12)20(2)15(22)16(17,18)19/h5-9,13H,3-4,10-11H2,1-2H3 |
| InChIKey | PQRTUMXPSRADRV-UHFFFAOYSA-N |
| Mol Weight | 331.34 g/mol |
| Molecular Formula | C16H20F3NO3 |
| Exact Mass | 331.139528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | SmDpaZLgn9 |
|---|---|
| Name | N-Methylphenylalanine, N-trifluoroacetyl-, N-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.139527994 u |
| Formula | C16H20F3NO3 |
| InChI | InChI=1S/C16H20F3NO3/c1-3-4-10-23-14(21)13(11-12-8-6-5-7-9-12)20(2)15(22)16(17,18)19/h5-9,13H,3-4,10-11H2,1-2H3 |
| InChIKey | PQRTUMXPSRADRV-UHFFFAOYSA-N |
| Molecular Weight | 331.335 g/mol |
| SMILES | CN(C(C(F)(F)F)=O)C(C(OCCCC)=O)CC1=CC=CC=C1 |