| SpectraBase Compound ID | 6Ouj81t2d66 |
|---|---|
| InChI | InChI=1S/C18H26FNO3/c1-3-4-5-6-7-8-13-23-18(22)14(2)20-17(21)15-9-11-16(19)12-10-15/h9-12,14H,3-8,13H2,1-2H3,(H,20,21) |
| InChIKey | NIIXHNCXBCJKJK-UHFFFAOYSA-N |
| Mol Weight | 323.41 g/mol |
| Molecular Formula | C18H26FNO3 |
| Exact Mass | 323.189672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5B99tgfG1ma |
|---|---|
| Name | L-Alanine, N-(4-fluorobenzoyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.189671861 u |
| Formula | C18H26FNO3 |
| InChI | InChI=1S/C18H26FNO3/c1-3-4-5-6-7-8-13-23-18(22)14(2)20-17(21)15-9-11-16(19)12-10-15/h9-12,14H,3-8,13H2,1-2H3,(H,20,21) |
| InChIKey | NIIXHNCXBCJKJK-UHFFFAOYSA-N |
| Molecular Weight | 323.408 g/mol |
| SMILES | C1(=CC=C(C=C1)C(NC(C(OCCCCCCCC)=O)C)=O)F |