| SpectraBase Compound ID | 9jnzmDBbxrY |
|---|---|
| InChI | InChI=1S/C17H21F2NO3/c1-2-3-4-10-23-17(22)15-6-5-9-20(15)16(21)13-8-7-12(18)11-14(13)19/h7-8,11,15H,2-6,9-10H2,1H3 |
| InChIKey | YUIIXKYNLLYEPO-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 | 8EllaD1ds2s |
|---|---|
| Name | L-Proline, N-(2,4-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/c1-2-3-4-10-23-17(22)15-6-5-9-20(15)16(21)13-8-7-12(18)11-14(13)19/h7-8,11,15H,2-6,9-10H2,1H3 |
| InChIKey | YUIIXKYNLLYEPO-UHFFFAOYSA-N |
| Molecular Weight | 325.356 g/mol |
| SMILES | C1=C(C(=CC=C1F)C(N1CCCC1C(OCCCCC)=O)=O)F |