| SpectraBase Compound ID | 7I1alI8D6ys |
|---|---|
| InChI | InChI=1S/C13H16FNO3S/c1-18-13(17)11(6-7-19-2)15-12(16)9-4-3-5-10(14)8-9/h3-5,8,11H,6-7H2,1-2H3,(H,15,16) |
| InChIKey | WCGMVBYCHGSBGK-UHFFFAOYSA-N |
| Mol Weight | 285.33 g/mol |
| Molecular Formula | C13H16FNO3S |
| Exact Mass | 285.083493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9H75eVava6 |
|---|---|
| Name | L-Methionine, N-(3-fluorobenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.083492713 u |
| Formula | C13H16FNO3S |
| InChI | InChI=1S/C13H16FNO3S/c1-18-13(17)11(6-7-19-2)15-12(16)9-4-3-5-10(14)8-9/h3-5,8,11H,6-7H2,1-2H3,(H,15,16) |
| InChIKey | WCGMVBYCHGSBGK-UHFFFAOYSA-N |
| Molecular Weight | 285.333 g/mol |
| SMILES | CSCCC(C(OC)=O)NC(=O)C1=CC(=CC=C1)F |