| SpectraBase Compound ID | IdZOqbuYwAq |
|---|---|
| InChI | InChI=1S/C15H20FNO3/c1-4-9-20-15(19)13(10(2)3)17-14(18)11-5-7-12(16)8-6-11/h5-8,10,13H,4,9H2,1-3H3,(H,17,18) |
| InChIKey | AINAVOQEOAFYPN-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 | 5M3vBzTOeGc |
|---|---|
| Name | L-Valine, N-(4-fluorobenzoyl)-, propyl 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/c1-4-9-20-15(19)13(10(2)3)17-14(18)11-5-7-12(16)8-6-11/h5-8,10,13H,4,9H2,1-3H3,(H,17,18) |
| InChIKey | AINAVOQEOAFYPN-UHFFFAOYSA-N |
| Molecular Weight | 281.327 g/mol |
| SMILES | C1=C(C=CC(=C1)C(NC(C(C)C)C(OCCC)=O)=O)F |