| SpectraBase Compound ID | H5pFP1O1rLP |
|---|---|
| InChI | InChI=1S/C22H28F15NO3/c1-4-5-6-7-8-9-10-41-14(39)13(11-12(2)3)38-15(40)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h12-13H,4-11H2,1-3H3,(H,38,40) |
| InChIKey | SJPXZDITVJZVSG-UHFFFAOYSA-N |
| Mol Weight | 639.45 g/mol |
| Molecular Formula | C22H28F15NO3 |
| Exact Mass | 639.182966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1cCRWXNPW6f |
|---|---|
| Name | L-Leucine, N-pentadecafluorooctanoyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 639.182966208 u |
| Formula | C22H28F15NO3 |
| InChI | InChI=1S/C22H28F15NO3/c1-4-5-6-7-8-9-10-41-14(39)13(11-12(2)3)38-15(40)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h12-13H,4-11H2,1-3H3,(H,38,40) |
| InChIKey | SJPXZDITVJZVSG-UHFFFAOYSA-N |
| Molecular Weight | 639.446 g/mol |
| SMILES | CCCCCCCCOC(=O)C(CC(C)C)NC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O |