| SpectraBase Compound ID | JyIqW4wzNzO |
|---|---|
| InChI | InChI=1S/C11H16F5NO4/c1-9(2,3)21-5-6(7(18)20-4)17-8(19)10(12,13)11(14,15)16/h6H,5H2,1-4H3,(H,17,19) |
| InChIKey | CDPNFPYXUUCDTD-UHFFFAOYSA-N |
| Mol Weight | 321.24 g/mol |
| Molecular Formula | C11H16F5NO4 |
| Exact Mass | 321.099949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QipAdwFi4i |
|---|---|
| Name | o-Tert.-butyl-L-serine, N-pentafluoropropionyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.099948810 u |
| Formula | C11H16F5NO4 |
| InChI | InChI=1S/C11H16F5NO4/c1-9(2,3)21-5-6(7(18)20-4)17-8(19)10(12,13)11(14,15)16/h6H,5H2,1-4H3,(H,17,19) |
| InChIKey | CDPNFPYXUUCDTD-UHFFFAOYSA-N |
| Molecular Weight | 321.244 g/mol |
| SMILES | C(C(OC)=O)(COC(C)(C)C)NC(C(C(F)(F)F)(F)F)=O |