| SpectraBase Compound ID | CrHQYytditu |
|---|---|
| InChI | InChI=1S/C15H22F7NO3/c1-4-5-6-7-8-26-11(24)10(9(2)3)23-12(25)13(16,17)14(18,19)15(20,21)22/h9-10H,4-8H2,1-3H3,(H,23,25) |
| InChIKey | FYDSVYCRZSEXAA-UHFFFAOYSA-N |
| Mol Weight | 397.33 g/mol |
| Molecular Formula | C15H22F7NO3 |
| Exact Mass | 397.148791 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJdMCm8Q7Di |
|---|---|
| Name | L-Valine, N-heptafluorobutyryl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.148790710 u |
| Formula | C15H22F7NO3 |
| InChI | InChI=1S/C15H22F7NO3/c1-4-5-6-7-8-26-11(24)10(9(2)3)23-12(25)13(16,17)14(18,19)15(20,21)22/h9-10H,4-8H2,1-3H3,(H,23,25) |
| InChIKey | FYDSVYCRZSEXAA-UHFFFAOYSA-N |
| Molecular Weight | 397.334 g/mol |
| SMILES | CCCCCCOC(C(C(C)C)NC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O |