| SpectraBase Compound ID | 8gaKXZjpsh1 |
|---|---|
| InChI | InChI=1S/C19H25F2NO3/c1-2-3-4-5-6-12-25-19(24)17-8-7-11-22(17)18(23)15-10-9-14(20)13-16(15)21/h9-10,13,17H,2-8,11-12H2,1H3 |
| InChIKey | CVVRJQFIBBWSBX-UHFFFAOYSA-N |
| Mol Weight | 353.41 g/mol |
| Molecular Formula | C19H25F2NO3 |
| Exact Mass | 353.18025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AwNf72sKwUY |
|---|---|
| Name | L-Proline, N-(2,4-difluorobenzoyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.180249992 u |
| Formula | C19H25F2NO3 |
| InChI | InChI=1S/C19H25F2NO3/c1-2-3-4-5-6-12-25-19(24)17-8-7-11-22(17)18(23)15-10-9-14(20)13-16(15)21/h9-10,13,17H,2-8,11-12H2,1H3 |
| InChIKey | CVVRJQFIBBWSBX-UHFFFAOYSA-N |
| Molecular Weight | 353.410 g/mol |
| SMILES | C1=C(C(=CC=C1F)C(N1CCCC1C(=O)OCCCCCCC)=O)F |