| SpectraBase Compound ID | 5J1Rx98mVL3 |
|---|---|
| InChI | InChI=1S/C7H8F3NO5/c1-16-4(12)2-3(5(13)14)11-6(15)7(8,9)10/h3H,2H2,1H3,(H,11,15)(H,13,14) |
| InChIKey | SYZRIIGYHJLYDW-UHFFFAOYSA-N |
| Mol Weight | 243.14 g/mol |
| Molecular Formula | C7H8F3NO5 |
| Exact Mass | 243.035457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KXHlKhYHpRH |
|---|---|
| Name | .beta.-Methyl N-trifluoroacetyl-L-aspartate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.035456846 u |
| Formula | C7H8F3NO5 |
| InChI | InChI=1S/C7H8F3NO5/c1-16-4(12)2-3(5(13)14)11-6(15)7(8,9)10/h3H,2H2,1H3,(H,11,15)(H,13,14) |
| InChIKey | SYZRIIGYHJLYDW-UHFFFAOYSA-N |
| Molecular Weight | 243.138 g/mol |
| SMILES | C(C(NC(CC(=O)OC)C(=O)O)=O)(F)(F)F |