| SpectraBase Compound ID | K7TsC2Wh7nM |
|---|---|
| InChI | InChI=1S/C12H18F5NO3/c1-6(2)5-8(9(19)21-7(3)4)18-10(20)11(13,14)12(15,16)17/h6-8H,5H2,1-4H3,(H,18,20)/t8-/m0/s1 |
| InChIKey | CWJIWKZTIPIGKO-QMMMGPOBSA-N |
| Mol Weight | 319.27 g/mol |
| Molecular Formula | C12H18F5NO3 |
| Exact Mass | 319.120684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jtw8fmHdf3O |
|---|---|
| Name | N-Pentafluoropropionyl-L-leucine isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.120684256 u |
| Formula | C12H18F5NO3 |
| InChI | InChI=1S/C12H18F5NO3/c1-6(2)5-8(9(19)21-7(3)4)18-10(20)11(13,14)12(15,16)17/h6-8H,5H2,1-4H3,(H,18,20)/t8-/m0/s1 |
| InChIKey | CWJIWKZTIPIGKO-QMMMGPOBSA-N |
| Molecular Weight | 319.272 g/mol |
| SMILES | C(C[C@](NC(=O)C(F)(F)C(F)(F)F)(C(OC(C)C)=O)[H])(C)C |