![leucine, N-[(4-chlorophenyl)sulfonyl]-, methyl ester](/api/spectrum/91sPjPNGIhm/structure.png?h=300&w=458 "leucine, N-[(4-chlorophenyl)sulfonyl]-, methyl ester")
| SpectraBase Compound ID | 6IWr7hwhqGL |
|---|---|
| InChI | InChI=1S/C13H18ClNO4S/c1-9(2)8-12(13(16)19-3)15-20(17,18)11-6-4-10(14)5-7-11/h4-7,9,12,15H,8H2,1-3H3 |
| InChIKey | WIVWJIOIQKOUAV-UHFFFAOYSA-N |
| Mol Weight | 319.8 g/mol |
| Molecular Formula | C13H18ClNO4S |
| Exact Mass | 319.064507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 91sPjPNGIhm |
|---|---|
| Name | Leucine, N-[(4-chlorophenyl)sulfonyl]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.064506934 u |
| Formula | C13H18ClNO4S |
| InChI | InChI=1S/C13H18ClNO4S/c1-9(2)8-12(13(16)19-3)15-20(17,18)11-6-4-10(14)5-7-11/h4-7,9,12,15H,8H2,1-3H3 |
| InChIKey | WIVWJIOIQKOUAV-UHFFFAOYSA-N |
| Molecular Weight | 319.803 g/mol |
| SMILES | N(S(C1=CC=C(C=C1)Cl)(=O)=O)C(C(=O)OC)CC(C)C |