| SpectraBase Compound ID | CKjJZfPDkoV |
|---|---|
| InChI | InChI=1S/C13H22F3NO3/c1-4-5-6-7-20-11(18)10(8-9(2)3)17-12(19)13(14,15)16/h9-10H,4-8H2,1-3H3,(H,17,19) |
| InChIKey | HWOCCELUNLSXDD-UHFFFAOYSA-N |
| Mol Weight | 297.32 g/mol |
| Molecular Formula | C13H22F3NO3 |
| Exact Mass | 297.155178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7I53R4y4xmU |
|---|---|
| Name | L-Leucine, N-(trifluoroacetyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.155178058 u |
| Formula | C13H22F3NO3 |
| InChI | InChI=1S/C13H22F3NO3/c1-4-5-6-7-20-11(18)10(8-9(2)3)17-12(19)13(14,15)16/h9-10H,4-8H2,1-3H3,(H,17,19) |
| InChIKey | HWOCCELUNLSXDD-UHFFFAOYSA-N |
| Molecular Weight | 297.318 g/mol |
| SMILES | CCCCCOC(C(NC(C(F)(F)F)=O)CC(C)C)=O |