| SpectraBase Compound ID | FmMccB1H7lE |
|---|---|
| InChI | InChI=1S/C14H18FNO3/c1-4-19-14(18)12(9(2)3)16-13(17)10-5-7-11(15)8-6-10/h5-9,12H,4H2,1-3H3,(H,16,17) |
| InChIKey | FQAVWOBLTQWDDZ-UHFFFAOYSA-N |
| Mol Weight | 267.3 g/mol |
| Molecular Formula | C14H18FNO3 |
| Exact Mass | 267.127072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FzVGRvh2Z8v |
|---|---|
| Name | L-Valine, N-(4-fluorobenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.127071604 u |
| Formula | C14H18FNO3 |
| InChI | InChI=1S/C14H18FNO3/c1-4-19-14(18)12(9(2)3)16-13(17)10-5-7-11(15)8-6-10/h5-9,12H,4H2,1-3H3,(H,16,17) |
| InChIKey | FQAVWOBLTQWDDZ-UHFFFAOYSA-N |
| Molecular Weight | 267.300 g/mol |
| SMILES | C(NC(C(C)C)C(=O)OCC)(=O)C1=CC=C(C=C1)F |