| SpectraBase Compound ID | 7FI9ok0HteF |
|---|---|
| InChI | InChI=1S/C18H23F2NO3/c1-2-3-4-5-11-24-18(23)16-7-6-10-21(16)17(22)14-9-8-13(19)12-15(14)20/h8-9,12,16H,2-7,10-11H2,1H3 |
| InChIKey | LKJOFXOAHZWVJW-UHFFFAOYSA-N |
| Mol Weight | 339.38 g/mol |
| Molecular Formula | C18H23F2NO3 |
| Exact Mass | 339.1646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HEGI6rgbL24 |
|---|---|
| Name | L-Proline, N-(2,4-difluorobenzoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.164599928 u |
| Formula | C18H23F2NO3 |
| InChI | InChI=1S/C18H23F2NO3/c1-2-3-4-5-11-24-18(23)16-7-6-10-21(16)17(22)14-9-8-13(19)12-15(14)20/h8-9,12,16H,2-7,10-11H2,1H3 |
| InChIKey | LKJOFXOAHZWVJW-UHFFFAOYSA-N |
| Molecular Weight | 339.383 g/mol |
| SMILES | C1=C(C(=CC=C1F)C(N1CCCC1C(OCCCCCC)=O)=O)F |