| SpectraBase Compound ID | BtWHN7JF7ng |
|---|---|
| InChI | InChI=1S/C18H24FNO3/c1-13(2)5-4-12-23-18(22)16-6-3-11-20(16)17(21)14-7-9-15(19)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3 |
| InChIKey | ZMALDJAEXXKPCC-UHFFFAOYSA-N |
| Mol Weight | 321.39 g/mol |
| Molecular Formula | C18H24FNO3 |
| Exact Mass | 321.174022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IZH7d4GxeFe |
|---|---|
| Name | L-Proline, N-(4-fluorobenzoyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.174021797 u |
| Formula | C18H24FNO3 |
| InChI | InChI=1S/C18H24FNO3/c1-13(2)5-4-12-23-18(22)16-6-3-11-20(16)17(21)14-7-9-15(19)10-8-14/h7-10,13,16H,3-6,11-12H2,1-2H3 |
| InChIKey | ZMALDJAEXXKPCC-UHFFFAOYSA-N |
| Molecular Weight | 321.392 g/mol |
| SMILES | C1C(N(C(=O)C2=CC=C(C=C2)F)CC1)C(=O)OCCCC(C)C |