| SpectraBase Compound ID | 844KsjqbdcA |
|---|---|
| InChI | InChI=1S/C21H30FNO3/c1-2-3-4-5-6-7-8-16-26-21(25)19-10-9-15-23(19)20(24)17-11-13-18(22)14-12-17/h11-14,19H,2-10,15-16H2,1H3 |
| InChIKey | NXEUFMMQFXGDHN-UHFFFAOYSA-N |
| Mol Weight | 363.47 g/mol |
| Molecular Formula | C21H30FNO3 |
| Exact Mass | 363.220972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kn6ueB6EdBS |
|---|---|
| Name | L-Proline, N-(4-fluorobenzoyl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.220971990 u |
| Formula | C21H30FNO3 |
| InChI | InChI=1S/C21H30FNO3/c1-2-3-4-5-6-7-8-16-26-21(25)19-10-9-15-23(19)20(24)17-11-13-18(22)14-12-17/h11-14,19H,2-10,15-16H2,1H3 |
| InChIKey | NXEUFMMQFXGDHN-UHFFFAOYSA-N |
| Molecular Weight | 363.473 g/mol |
| SMILES | C1C(N(C(=O)C2=CC=C(C=C2)F)CC1)C(=O)OCCCCCCCCC |