| SpectraBase Compound ID | I6vZzAbDy1A |
|---|---|
| InChI | InChI=1S/C19H28FNO3/c1-4-5-6-7-8-13-24-19(23)17(14(2)3)21-18(22)15-9-11-16(20)12-10-15/h9-12,14,17H,4-8,13H2,1-3H3,(H,21,22) |
| InChIKey | PUVNOTCJDGZBKK-UHFFFAOYSA-N |
| Mol Weight | 337.44 g/mol |
| Molecular Formula | C19H28FNO3 |
| Exact Mass | 337.205322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2YgrHnJ4jIn |
|---|---|
| Name | L-Valine, N-(4-fluorobenzoyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.205321926 u |
| Formula | C19H28FNO3 |
| InChI | InChI=1S/C19H28FNO3/c1-4-5-6-7-8-13-24-19(23)17(14(2)3)21-18(22)15-9-11-16(20)12-10-15/h9-12,14,17H,4-8,13H2,1-3H3,(H,21,22) |
| InChIKey | PUVNOTCJDGZBKK-UHFFFAOYSA-N |
| Molecular Weight | 337.435 g/mol |
| SMILES | C1=C(C=CC(=C1)C(NC(C(C)C)C(=O)OCCCCCCC)=O)F |