| SpectraBase Compound ID | AlM25aJffz2 |
|---|---|
| InChI | InChI=1S/C14H20F7NO3/c1-4-5-6-25-10(23)9(7-8(2)3)22-11(24)12(15,16)13(17,18)14(19,20)21/h8-9H,4-7H2,1-3H3,(H,22,24) |
| InChIKey | DQNQXBWJRDSSEK-UHFFFAOYSA-N |
| Mol Weight | 383.31 g/mol |
| Molecular Formula | C14H20F7NO3 |
| Exact Mass | 383.133141 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5jUhjQhYc5W |
|---|---|
| Name | L-Leucine, N-heptafluorobutyryl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.133140646 u |
| Formula | C14H20F7NO3 |
| InChI | InChI=1S/C14H20F7NO3/c1-4-5-6-25-10(23)9(7-8(2)3)22-11(24)12(15,16)13(17,18)14(19,20)21/h8-9H,4-7H2,1-3H3,(H,22,24) |
| InChIKey | DQNQXBWJRDSSEK-UHFFFAOYSA-N |
| Molecular Weight | 383.307 g/mol |
| SMILES | CCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC(C)C)=O |