| SpectraBase Compound ID | DWFfgmmCrh |
|---|---|
| InChI | InChI=1S/C15H24F5NO3/c1-4-6-7-8-9-24-12(22)11(10(3)5-2)21-13(23)14(16,17)15(18,19)20/h10-11H,4-9H2,1-3H3,(H,21,23) |
| InChIKey | PHWUWMNSIIRYMW-UHFFFAOYSA-N |
| Mol Weight | 361.35 g/mol |
| Molecular Formula | C15H24F5NO3 |
| Exact Mass | 361.167634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F59ORpVFNsU |
|---|---|
| Name | L-Isoleucine, N-pentafluoropropionyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.167634449 u |
| Formula | C15H24F5NO3 |
| InChI | InChI=1S/C15H24F5NO3/c1-4-6-7-8-9-24-12(22)11(10(3)5-2)21-13(23)14(16,17)15(18,19)20/h10-11H,4-9H2,1-3H3,(H,21,23) |
| InChIKey | PHWUWMNSIIRYMW-UHFFFAOYSA-N |
| Molecular Weight | 361.353 g/mol |
| SMILES | C(C(F)(C(NC(C(CC)C)C(OCCCCCC)=O)=O)F)(F)(F)F |