| SpectraBase Compound ID | IG3Y5rEYSpD |
|---|---|
| InChI | InChI=1S/C13H18F7NO3S/c1-3-4-6-24-9(22)8(5-7-25-2)21-10(23)11(14,15)12(16,17)13(18,19)20/h8H,3-7H2,1-2H3,(H,21,23) |
| InChIKey | RAYWSDPQZFLTFJ-UHFFFAOYSA-N |
| Mol Weight | 401.34 g/mol |
| Molecular Formula | C13H18F7NO3S |
| Exact Mass | 401.089562 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vHfjdUlsEp |
|---|---|
| Name | L-Methionine, N-heptafluorobutyryl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.089561756 u |
| Formula | C13H18F7NO3S |
| InChI | InChI=1S/C13H18F7NO3S/c1-3-4-6-24-9(22)8(5-7-25-2)21-10(23)11(14,15)12(16,17)13(18,19)20/h8H,3-7H2,1-2H3,(H,21,23) |
| InChIKey | RAYWSDPQZFLTFJ-UHFFFAOYSA-N |
| Molecular Weight | 401.340 g/mol |
| SMILES | CSCCC(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(OCCCC)=O |