| SpectraBase Compound ID | BjWbSujkGWQ |
|---|---|
| InChI | InChI=1S/C15H20FNO3/c1-4-20-15(19)13(8-10(2)3)17-14(18)11-6-5-7-12(16)9-11/h5-7,9-10,13H,4,8H2,1-3H3,(H,17,18) |
| InChIKey | DKRIMJSNMXQGSI-UHFFFAOYSA-N |
| Mol Weight | 281.33 g/mol |
| Molecular Formula | C15H20FNO3 |
| Exact Mass | 281.142722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | PsG5xBfJU0 |
|---|---|
| Name | L-Leucine, N-(3-fluorobenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.142721668 u |
| Formula | C15H20FNO3 |
| InChI | InChI=1S/C15H20FNO3/c1-4-20-15(19)13(8-10(2)3)17-14(18)11-6-5-7-12(16)9-11/h5-7,9-10,13H,4,8H2,1-3H3,(H,17,18) |
| InChIKey | DKRIMJSNMXQGSI-UHFFFAOYSA-N |
| Molecular Weight | 281.327 g/mol |
| SMILES | C1=C(C=CC=C1C(NC(CC(C)C)C(OCC)=O)=O)F |