| SpectraBase Compound ID | 1M0JUC3napl |
|---|---|
| InChI | InChI=1S/C17H21F2NO3/c1-2-3-4-11-23-17(22)14-9-6-10-20(14)16(21)15-12(18)7-5-8-13(15)19/h5,7-8,14H,2-4,6,9-11H2,1H3 |
| InChIKey | MCMDCUFCFOSXES-UHFFFAOYSA-N |
| Mol Weight | 325.36 g/mol |
| Molecular Formula | C17H21F2NO3 |
| Exact Mass | 325.14895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 84mkBCyIzzO |
|---|---|
| Name | L-Proline, N-(2,6-difluorobenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.148949863 u |
| Formula | C17H21F2NO3 |
| InChI | InChI=1S/C17H21F2NO3/c1-2-3-4-11-23-17(22)14-9-6-10-20(14)16(21)15-12(18)7-5-8-13(15)19/h5,7-8,14H,2-4,6,9-11H2,1H3 |
| InChIKey | MCMDCUFCFOSXES-UHFFFAOYSA-N |
| Molecular Weight | 325.356 g/mol |
| SMILES | C1(=C(C(=CC=C1)F)C(N1CCCC1C(OCCCCC)=O)=O)F |