![(+-) Methyl 4-[(4-chlorophenyl)sulfinyl]butanoate](/api/spectrum/HJDnpphT7Tn/structure.png?h=300&w=458 "(+-) Methyl 4-[(4-chlorophenyl)sulfinyl]butanoate")
| SpectraBase Compound ID | 4j7K3Yz31H9 |
|---|---|
| InChI | InChI=1S/C11H13ClO3S/c1-15-11(13)3-2-8-16(14)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3 |
| InChIKey | SQUYGGQTFSIYPQ-UHFFFAOYSA-N |
| Mol Weight | 260.73 g/mol |
| Molecular Formula | C11H13ClO3S |
| Exact Mass | 260.027393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJDnpphT7Tn |
|---|---|
| Name | (+-) methyl 4-[(4-chlorophenyl)sulfinyl]butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.027393150 u |
| Formula | C11H13ClO3S |
| InChI | InChI=1S/C11H13ClO3S/c1-15-11(13)3-2-8-16(14)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3 |
| InChIKey | SQUYGGQTFSIYPQ-UHFFFAOYSA-N |
| Molecular Weight | 260.735 g/mol |
| SMILES | C=1(S(=O)CCCC(=O)OC)C=CC(=CC1)Cl |