| SpectraBase Compound ID | 6M7ujvtTX8W |
|---|---|
| InChI | InChI=1S/C15H24F5NO3S/c1-3-4-5-6-7-9-24-12(22)11(8-10-25-2)21-13(23)14(16,17)15(18,19)20/h11H,3-10H2,1-2H3,(H,21,23) |
| InChIKey | KLWDJOCSFZRADF-UHFFFAOYSA-N |
| Mol Weight | 393.41 g/mol |
| Molecular Formula | C15H24F5NO3S |
| Exact Mass | 393.139706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HCVVOTypr1I |
|---|---|
| Name | L-Methionine, N-pentafluoropropionyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.139705623 u |
| Formula | C15H24F5NO3S |
| InChI | InChI=1S/C15H24F5NO3S/c1-3-4-5-6-7-9-24-12(22)11(8-10-25-2)21-13(23)14(16,17)15(18,19)20/h11H,3-10H2,1-2H3,(H,21,23) |
| InChIKey | KLWDJOCSFZRADF-UHFFFAOYSA-N |
| Molecular Weight | 393.413 g/mol |
| SMILES | CCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)CCSC)=O |