| SpectraBase Compound ID | JvRzBTeZxlf |
|---|---|
| InChI | InChI=1S/C13H13F2NO3/c1-19-13(18)10-6-3-7-16(10)12(17)11-8(14)4-2-5-9(11)15/h2,4-5,10H,3,6-7H2,1H3 |
| InChIKey | QVKVHEIVKOWIQQ-UHFFFAOYSA-N |
| Mol Weight | 269.25 g/mol |
| Molecular Formula | C13H13F2NO3 |
| Exact Mass | 269.08635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9YaaZ8wuzF |
|---|---|
| Name | L-Proline, N-(2,6-difluorobenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.086349606 u |
| Formula | C13H13F2NO3 |
| InChI | InChI=1S/C13H13F2NO3/c1-19-13(18)10-6-3-7-16(10)12(17)11-8(14)4-2-5-9(11)15/h2,4-5,10H,3,6-7H2,1H3 |
| InChIKey | QVKVHEIVKOWIQQ-UHFFFAOYSA-N |
| Molecular Weight | 269.248 g/mol |
| SMILES | C1=CC(=C(C(=C1)F)C(N1CCCC1C(=O)OC)=O)F |