| SpectraBase Compound ID | 9eJ8FXYFipF |
|---|---|
| InChI | InChI=1S/C10H16F3NO3/c1-4-7(2)17-8(15)5-6-14(3)9(16)10(11,12)13/h7H,4-6H2,1-3H3 |
| InChIKey | MECGQVNRUPNHJT-UHFFFAOYSA-N |
| Mol Weight | 255.24 g/mol |
| Molecular Formula | C10H16F3NO3 |
| Exact Mass | 255.108228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16xJXbmQvp2 |
|---|---|
| Name | .beta.-Alanine, N-methyl-N-(trifluoroacetyl)-, 1-methylpropyl ester, (S)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.108227865 u |
| Formula | C10H16F3NO3 |
| InChI | InChI=1S/C10H16F3NO3/c1-4-7(2)17-8(15)5-6-14(3)9(16)10(11,12)13/h7H,4-6H2,1-3H3 |
| InChIKey | MECGQVNRUPNHJT-UHFFFAOYSA-N |
| Molecular Weight | 255.237 g/mol |
| SMILES | C(N(C(C(F)(F)F)=O)C)CC(O[C@](CC)(C)[H])=O |