| SpectraBase Compound ID | 2e2TrKzBZxS |
|---|---|
| InChI | InChI=1S/C9H14F3NO4/c1-8(2,3)17-7(16)13-5(6(14)15)4-9(10,11)12/h5H,4H2,1-3H3,(H,13,16)(H,14,15)/t5-/m0/s1 |
| InChIKey | UCUKFQMRNHNNQY-YFKPBYRVSA-N |
| Mol Weight | 257.21 g/mol |
| Molecular Formula | C9H14F3NO4 |
| Exact Mass | 257.087492 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3prrzrVNOlM |
|---|---|
| Name | (2S)-2-(Tert.-butoxycarbonyl)-amino-4,4,4-trifluorobutanoic-acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.087492420 u |
| Formula | C9H14F3NO4 |
| InChI | InChI=1S/C9H14F3NO4/c1-8(2,3)17-7(16)13-5(6(14)15)4-9(10,11)12/h5H,4H2,1-3H3,(H,13,16)(H,14,15)/t5-/m0/s1 |
| InChIKey | UCUKFQMRNHNNQY-YFKPBYRVSA-N |
| Molecular Weight | 257.209 g/mol |
| SMILES | C(=O)(O)[C@](CC(F)(F)F)(NC(=O)OC(C)(C)C)[H] |