| SpectraBase Compound ID | 1Jot5gsgLjN |
|---|---|
| InChI | InChI=1S/C16H19F2NO3/c1-2-3-9-22-16(21)14-5-4-8-19(14)15(20)12-7-6-11(17)10-13(12)18/h6-7,10,14H,2-5,8-9H2,1H3 |
| InChIKey | ILKBGRHPRZTQDC-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 | GUldI1JmcYh |
|---|---|
| Name | L-Proline, N-(2,4-difluorobenzoyl)-, butyl 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/c1-2-3-9-22-16(21)14-5-4-8-19(14)15(20)12-7-6-11(17)10-13(12)18/h6-7,10,14H,2-5,8-9H2,1H3 |
| InChIKey | ILKBGRHPRZTQDC-UHFFFAOYSA-N |
| Molecular Weight | 311.329 g/mol |
| SMILES | C1=C(C(=CC=C1F)C(N1CCCC1C(OCCCC)=O)=O)F |