| SpectraBase Compound ID | FIUcBbuXX95 |
|---|---|
| InChI | InChI=1S/C15H26F3NO3/c1-4-5-6-7-8-9-22-13(20)12(10-11(2)3)19-14(21)15(16,17)18/h11-12H,4-10H2,1-3H3,(H,19,21) |
| InChIKey | SWISNBAOCXPMTK-UHFFFAOYSA-N |
| Mol Weight | 325.37 g/mol |
| Molecular Formula | C15H26F3NO3 |
| Exact Mass | 325.186478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bj29fdewru |
|---|---|
| Name | L-Leucine, N-(trifluoroacetyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.186478187 u |
| Formula | C15H26F3NO3 |
| InChI | InChI=1S/C15H26F3NO3/c1-4-5-6-7-8-9-22-13(20)12(10-11(2)3)19-14(21)15(16,17)18/h11-12H,4-10H2,1-3H3,(H,19,21) |
| InChIKey | SWISNBAOCXPMTK-UHFFFAOYSA-N |
| Molecular Weight | 325.372 g/mol |
| SMILES | CC(C)CC(NC(C(F)(F)F)=O)C(OCCCCCCC)=O |