| SpectraBase Compound ID | CBp76sr0bX9 |
|---|---|
| InChI | InChI=1S/C8H10F3NO5/c1-16-5(13)3-4(6(14)17-2)12-7(15)8(9,10)11/h4H,3H2,1-2H3,(H,12,15) |
| InChIKey | BMMOKCXZISDJCQ-UHFFFAOYSA-N |
| Mol Weight | 257.17 g/mol |
| Molecular Formula | C8H10F3NO5 |
| Exact Mass | 257.051107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2uINbAFsF6Y |
|---|---|
| Name | L-Aspartic acid, N-(trifluoroacetyl)-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.051106910 u |
| Formula | C8H10F3NO5 |
| InChI | InChI=1S/C8H10F3NO5/c1-16-5(13)3-4(6(14)17-2)12-7(15)8(9,10)11/h4H,3H2,1-2H3,(H,12,15) |
| InChIKey | BMMOKCXZISDJCQ-UHFFFAOYSA-N |
| Molecular Weight | 257.165 g/mol |
| SMILES | [C@@](NC(C(F)(F)F)=O)(CC(OC)=O)(C(OC)=O)[H] |