| SpectraBase Compound ID | 8Flpnb6GSX8 |
|---|---|
| InChI | InChI=1S/C16H22FNO3/c1-4-5-10-21-16(20)14(11(2)3)18-15(19)12-6-8-13(17)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3,(H,18,19) |
| InChIKey | PUYJVTRCPJHKLL-UHFFFAOYSA-N |
| Mol Weight | 295.35 g/mol |
| Molecular Formula | C16H22FNO3 |
| Exact Mass | 295.158372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2DckMJBLmdM |
|---|---|
| Name | L-Valine, N-(4-fluorobenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.158371732 u |
| Formula | C16H22FNO3 |
| InChI | InChI=1S/C16H22FNO3/c1-4-5-10-21-16(20)14(11(2)3)18-15(19)12-6-8-13(17)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3,(H,18,19) |
| InChIKey | PUYJVTRCPJHKLL-UHFFFAOYSA-N |
| Molecular Weight | 295.354 g/mol |
| SMILES | C1=C(C=CC(=C1)C(NC(C(C)C)C(OCCCC)=O)=O)F |