| SpectraBase Compound ID | JCKsrTVmMKL |
|---|---|
| InChI | InChI=1S/C13H15F2NO3S/c1-19-13(18)10(6-7-20-2)16-12(17)11-8(14)4-3-5-9(11)15/h3-5,10H,6-7H2,1-2H3,(H,16,17) |
| InChIKey | MGRUJXGGOSXHMQ-UHFFFAOYSA-N |
| Mol Weight | 303.32 g/mol |
| Molecular Formula | C13H15F2NO3S |
| Exact Mass | 303.074071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | XCh5rKi2vR |
|---|---|
| Name | L-Methionine, N-(2,6-difluorobenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.074070844 u |
| Formula | C13H15F2NO3S |
| InChI | InChI=1S/C13H15F2NO3S/c1-19-13(18)10(6-7-20-2)16-12(17)11-8(14)4-3-5-9(11)15/h3-5,10H,6-7H2,1-2H3,(H,16,17) |
| InChIKey | MGRUJXGGOSXHMQ-UHFFFAOYSA-N |
| Molecular Weight | 303.324 g/mol |
| SMILES | C1=CC(=C(C(=C1)F)C(NC(CCSC)C(OC)=O)=O)F |