| SpectraBase Compound ID | ISu7OHWrB8y |
|---|---|
| InChI | InChI=1S/C13H20F5NO3/c1-7(2)5-9(10(20)22-6-8(3)4)19-11(21)12(14,15)13(16,17)18/h7-9H,5-6H2,1-4H3,(H,19,21) |
| InChIKey | DFESLQPMOKIBIT-UHFFFAOYSA-N |
| Mol Weight | 333.3 g/mol |
| Molecular Formula | C13H20F5NO3 |
| Exact Mass | 333.136334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HYcgcV2nhFh |
|---|---|
| Name | L-Leucine. N-pentafluoropropionyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.136334320 u |
| Formula | C13H20F5NO3 |
| InChI | InChI=1S/C13H20F5NO3/c1-7(2)5-9(10(20)22-6-8(3)4)19-11(21)12(14,15)13(16,17)18/h7-9H,5-6H2,1-4H3,(H,19,21) |
| InChIKey | DFESLQPMOKIBIT-UHFFFAOYSA-N |
| Molecular Weight | 333.299 g/mol |
| SMILES | CC(C)COC(C(NC(C(C(F)(F)F)(F)F)=O)CC(C)C)=O |