| SpectraBase Compound ID | 1QVf4h2cw2k |
|---|---|
| InChI | InChI=1S/C14H20F7NO3S/c1-3-4-5-7-25-10(23)9(6-8-26-2)22-11(24)12(15,16)13(17,18)14(19,20)21/h9H,3-8H2,1-2H3,(H,22,24) |
| InChIKey | SIRQYVCEKSOANO-UHFFFAOYSA-N |
| Mol Weight | 415.37 g/mol |
| Molecular Formula | C14H20F7NO3S |
| Exact Mass | 415.105212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7GNbtzr5jGU |
|---|---|
| Name | L-Methionine, N-heptafluorobutyryl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 415.105211820 u |
| Formula | C14H20F7NO3S |
| InChI | InChI=1S/C14H20F7NO3S/c1-3-4-5-7-25-10(23)9(6-8-26-2)22-11(24)12(15,16)13(17,18)14(19,20)21/h9H,3-8H2,1-2H3,(H,22,24) |
| InChIKey | SIRQYVCEKSOANO-UHFFFAOYSA-N |
| Molecular Weight | 415.367 g/mol |
| SMILES | CCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CCSC)=O |