| SpectraBase Compound ID | 2D6pNKmHbm3 |
|---|---|
| InChI | InChI=1S/C15H18FNO3/c1-2-9-20-15(19)13-7-4-8-17(13)14(18)11-5-3-6-12(16)10-11/h3,5-6,10,13H,2,4,7-9H2,1H3 |
| InChIKey | XRTJSYLSTFLBMG-UHFFFAOYSA-N |
| Mol Weight | 279.31 g/mol |
| Molecular Formula | C15H18FNO3 |
| Exact Mass | 279.127072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HPmoEZIrfNg |
|---|---|
| Name | L-Proline, N-(3-fluorobenzoyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.127071604 u |
| Formula | C15H18FNO3 |
| InChI | InChI=1S/C15H18FNO3/c1-2-9-20-15(19)13-7-4-8-17(13)14(18)11-5-3-6-12(16)10-11/h3,5-6,10,13H,2,4,7-9H2,1H3 |
| InChIKey | XRTJSYLSTFLBMG-UHFFFAOYSA-N |
| Molecular Weight | 279.311 g/mol |
| SMILES | C1=C(C=CC=C1F)C(N1CCCC1C(OCCC)=O)=O |