| SpectraBase Compound ID | 99uWTJXdt1x |
|---|---|
| InChI | InChI=1S/C14H22F5NO3S/c1-9(2)5-4-7-23-11(21)10(6-8-24-3)20-12(22)13(15,16)14(17,18)19/h9-10H,4-8H2,1-3H3,(H,20,22) |
| InChIKey | ZGCRHFLMSIWKGO-UHFFFAOYSA-N |
| Mol Weight | 379.39 g/mol |
| Molecular Formula | C14H22F5NO3S |
| Exact Mass | 379.124056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRHZbO3Fm1T |
|---|---|
| Name | L-Methionine, N-pentafluoropropionyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.124055558 u |
| Formula | C14H22F5NO3S |
| InChI | InChI=1S/C14H22F5NO3S/c1-9(2)5-4-7-23-11(21)10(6-8-24-3)20-12(22)13(15,16)14(17,18)19/h9-10H,4-8H2,1-3H3,(H,20,22) |
| InChIKey | ZGCRHFLMSIWKGO-UHFFFAOYSA-N |
| Molecular Weight | 379.386 g/mol |
| SMILES | CC(C)CCCOC(C(NC(C(C(F)(F)F)(F)F)=O)CCSC)=O |