| SpectraBase Compound ID | J8Uf6jZydD6 |
|---|---|
| InChI | InChI=1S/C16H19F2NO3/c1-10(2)9-22-16(21)13-7-4-8-19(13)15(20)14-11(17)5-3-6-12(14)18/h3,5-6,10,13H,4,7-9H2,1-2H3 |
| InChIKey | SKWBGVYUEGZICX-UHFFFAOYSA-N |
| Mol Weight | 311.33 g/mol |
| Molecular Formula | C16H19F2NO3 |
| Exact Mass | 311.1333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqfHiT6Bb73 |
|---|---|
| Name | L-Proline, N-(2,6-difluorobenzoyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.133299799 u |
| Formula | C16H19F2NO3 |
| InChI | InChI=1S/C16H19F2NO3/c1-10(2)9-22-16(21)13-7-4-8-19(13)15(20)14-11(17)5-3-6-12(14)18/h3,5-6,10,13H,4,7-9H2,1-2H3 |
| InChIKey | SKWBGVYUEGZICX-UHFFFAOYSA-N |
| Molecular Weight | 311.329 g/mol |
| SMILES | C(N1CCCC1C(=O)OCC(C)C)(=O)C1=C(C=CC=C1F)F |