| SpectraBase Compound ID | JK9q3OFzj85 |
|---|---|
| InChI | InChI=1S/C12H13F2NO3/c1-3-18-12(17)7(2)15-11(16)9-5-4-8(13)6-10(9)14/h4-7H,3H2,1-2H3,(H,15,16) |
| InChIKey | SPWLYEZCDHNCAK-UHFFFAOYSA-N |
| Mol Weight | 257.24 g/mol |
| Molecular Formula | C12H13F2NO3 |
| Exact Mass | 257.08635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1WaQ0JGeKaP |
|---|---|
| Name | D-Alanine, N-(2,4-difluorobenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.086349606 u |
| Formula | C12H13F2NO3 |
| InChI | InChI=1S/C12H13F2NO3/c1-3-18-12(17)7(2)15-11(16)9-5-4-8(13)6-10(9)14/h4-7H,3H2,1-2H3,(H,15,16) |
| InChIKey | SPWLYEZCDHNCAK-UHFFFAOYSA-N |
| Molecular Weight | 257.237 g/mol |
| SMILES | CC(NC(=O)C1=C(C=C(C=C1)F)F)C(OCC)=O |