| SpectraBase Compound ID | 4fh0QPweHAO |
|---|---|
| InChI | InChI=1S/C13H14F3NO3/c1-9(11(18)20-2)17(12(19)13(14,15)16)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | MDGVSGWYKNYUJE-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 | IhnfisoM4Sg |
|---|---|
| Name | D-Alanine, .N-benzyl-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/c1-9(11(18)20-2)17(12(19)13(14,15)16)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | MDGVSGWYKNYUJE-UHFFFAOYSA-N |
| Molecular Weight | 289.254 g/mol |
| SMILES | C1(=CC=CC=C1)CN(C(C)C(=O)OC)C(C(F)(F)F)=O |