| SpectraBase Compound ID | 2Jqy2k3LXZG |
|---|---|
| InChI | InChI=1S/C14H22F5NO3/c1-4-6-7-8-23-11(21)10(9(3)5-2)20-12(22)13(15,16)14(17,18)19/h9-10H,4-8H2,1-3H3,(H,20,22) |
| InChIKey | VRYLXQBYWUKEGJ-UHFFFAOYSA-N |
| Mol Weight | 347.33 g/mol |
| Molecular Formula | C14H22F5NO3 |
| Exact Mass | 347.151984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D9eFHcmO1aC |
|---|---|
| Name | L-Isoleucine, N-pentafluoropropionyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.151984384 u |
| Formula | C14H22F5NO3 |
| InChI | InChI=1S/C14H22F5NO3/c1-4-6-7-8-23-11(21)10(9(3)5-2)20-12(22)13(15,16)14(17,18)19/h9-10H,4-8H2,1-3H3,(H,20,22) |
| InChIKey | VRYLXQBYWUKEGJ-UHFFFAOYSA-N |
| Molecular Weight | 347.326 g/mol |
| SMILES | CCC(C)C(NC(C(C(F)(F)F)(F)F)=O)C(OCCCCC)=O |