| SpectraBase Compound ID | o5ZPu71Ntn |
|---|---|
| InChI | InChI=1S/C16H26F5NO3S/c1-3-4-5-6-7-8-10-25-13(23)12(9-11-26-2)22-14(24)15(17,18)16(19,20)21/h12H,3-11H2,1-2H3,(H,22,24) |
| InChIKey | XQLOQVWYMYTKAS-UHFFFAOYSA-N |
| Mol Weight | 407.44 g/mol |
| Molecular Formula | C16H26F5NO3S |
| Exact Mass | 407.155356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZfR3i4lX7p |
|---|---|
| Name | L-Methionine, N-pentafluoropropionyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 407.155355687 u |
| Formula | C16H26F5NO3S |
| InChI | InChI=1S/C16H26F5NO3S/c1-3-4-5-6-7-8-10-25-13(23)12(9-11-26-2)22-14(24)15(17,18)16(19,20)21/h12H,3-11H2,1-2H3,(H,22,24) |
| InChIKey | XQLOQVWYMYTKAS-UHFFFAOYSA-N |
| Molecular Weight | 407.440 g/mol |
| SMILES | CCCCCCCCOC(C(NC(C(C(F)(F)F)(F)F)=O)CCSC)=O |