| SpectraBase Compound ID | EQIaPrpuz7g |
|---|---|
| InChI | InChI=1S/C14H14F5NO3/c1-4-23-14(22)12(5(2)3)20-13(21)6-7(15)9(17)11(19)10(18)8(6)16/h5,12H,4H2,1-3H3,(H,20,21) |
| InChIKey | NNUIVGBCZUPDFL-UHFFFAOYSA-N |
| Mol Weight | 339.26 g/mol |
| Molecular Formula | C14H14F5NO3 |
| Exact Mass | 339.089384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6uMy43cVynJ |
|---|---|
| Name | L-Valine, N-pentafluorobenzoyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.089384127 u |
| Formula | C14H14F5NO3 |
| InChI | InChI=1S/C14H14F5NO3/c1-4-23-14(22)12(5(2)3)20-13(21)6-7(15)9(17)11(19)10(18)8(6)16/h5,12H,4H2,1-3H3,(H,20,21) |
| InChIKey | NNUIVGBCZUPDFL-UHFFFAOYSA-N |
| Molecular Weight | 339.262 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)C(NC(C(C)C)C(=O)OCC)=O)F)F)F |