| SpectraBase Compound ID | Ek47GBMFoKv |
|---|---|
| InChI | InChI=1S/C18H24FNO3/c1-2-3-4-5-12-23-18(22)16-10-7-11-20(16)17(21)14-8-6-9-15(19)13-14/h6,8-9,13,16H,2-5,7,10-12H2,1H3 |
| InChIKey | YWLZTTCQOMIBFA-UHFFFAOYSA-N |
| Mol Weight | 321.39 g/mol |
| Molecular Formula | C18H24FNO3 |
| Exact Mass | 321.174022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B1ZZWKqqpKv |
|---|---|
| Name | L-Proline, N-(3-fluorobenzoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.174021797 u |
| Formula | C18H24FNO3 |
| InChI | InChI=1S/C18H24FNO3/c1-2-3-4-5-12-23-18(22)16-10-7-11-20(16)17(21)14-8-6-9-15(19)13-14/h6,8-9,13,16H,2-5,7,10-12H2,1H3 |
| InChIKey | YWLZTTCQOMIBFA-UHFFFAOYSA-N |
| Molecular Weight | 321.392 g/mol |
| SMILES | C1=C(C=CC=C1F)C(N1CCCC1C(=O)OCCCCCC)=O |