| SpectraBase Compound ID | JCCuudxUYhF |
|---|---|
| InChI | InChI=1S/C16H20FNO3/c1-11(2)10-21-16(20)14-7-4-8-18(14)15(19)12-5-3-6-13(17)9-12/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3 |
| InChIKey | AGQVJRMKHFOUDQ-UHFFFAOYSA-N |
| Mol Weight | 293.34 g/mol |
| Molecular Formula | C16H20FNO3 |
| Exact Mass | 293.142722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HqZMRiCbXOq |
|---|---|
| Name | L-Proline, N-(3-fluorobenzoyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.142721668 u |
| Formula | C16H20FNO3 |
| InChI | InChI=1S/C16H20FNO3/c1-11(2)10-21-16(20)14-7-4-8-18(14)15(19)12-5-3-6-13(17)9-12/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3 |
| InChIKey | AGQVJRMKHFOUDQ-UHFFFAOYSA-N |
| Molecular Weight | 293.338 g/mol |
| SMILES | C1=C(C=CC=C1F)C(N1CCCC1C(OCC(C)C)=O)=O |