| SpectraBase Compound ID | HGsXkflLi51 |
|---|---|
| InChI | InChI=1S/C13H16ClNO3S/c1-18-13(17)11(7-8-19-2)15-12(16)9-5-3-4-6-10(9)14/h3-6,11H,7-8H2,1-2H3,(H,15,16) |
| InChIKey | VTGMWNUUHTXXLY-UHFFFAOYSA-N |
| Mol Weight | 301.79 g/mol |
| Molecular Formula | C13H16ClNO3S |
| Exact Mass | 301.053942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3w59Awi6WXA |
|---|---|
| Name | L-Methionine, N-(2-chlorobenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.053942250 u |
| Formula | C13H16ClNO3S |
| InChI | InChI=1S/C13H16ClNO3S/c1-18-13(17)11(7-8-19-2)15-12(16)9-5-3-4-6-10(9)14/h3-6,11H,7-8H2,1-2H3,(H,15,16) |
| InChIKey | VTGMWNUUHTXXLY-UHFFFAOYSA-N |
| SMILES | C1=CC(=C(C=C1)C(NC(CCSC)C(OC)=O)=O)Cl |