| SpectraBase Compound ID | PARlGKFOJt |
|---|---|
| InChI | InChI=1S/C15H16F5NO3/c1-4-5-24-15(23)13(6(2)3)21-14(22)7-8(16)10(18)12(20)11(19)9(7)17/h6,13H,4-5H2,1-3H3,(H,21,22) |
| InChIKey | VPVACQKDIPIXGZ-UHFFFAOYSA-N |
| Mol Weight | 353.29 g/mol |
| Molecular Formula | C15H16F5NO3 |
| Exact Mass | 353.105034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2CRV19y6BC6 |
|---|---|
| Name | L-Valine, N-pentafluorobenzoyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.105034191 u |
| Formula | C15H16F5NO3 |
| InChI | InChI=1S/C15H16F5NO3/c1-4-5-24-15(23)13(6(2)3)21-14(22)7-8(16)10(18)12(20)11(19)9(7)17/h6,13H,4-5H2,1-3H3,(H,21,22) |
| InChIKey | VPVACQKDIPIXGZ-UHFFFAOYSA-N |
| Molecular Weight | 353.289 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)C(=O)NC(C(C)C)C(=O)OCCC)F)F)F |