![(+-) Methyl 3-[(4-chlorophenyl)sulfinyl]propanoate](/api/spectrum/5wyTUazqN04/structure.png?h=300&w=458 "(+-) Methyl 3-[(4-chlorophenyl)sulfinyl]propanoate")
| SpectraBase Compound ID | FYpDehTwBiQ |
|---|---|
| InChI | InChI=1S/C10H11ClO3S/c1-14-10(12)6-7-15(13)9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3 |
| InChIKey | BDAVDIOUAVWHGY-UHFFFAOYSA-N |
| Mol Weight | 246.71 g/mol |
| Molecular Formula | C10H11ClO3S |
| Exact Mass | 246.011743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5wyTUazqN04 |
|---|---|
| Name | (+-) methyl 3-[(4-chlorophenyl)sulfinyl]propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.011743085 u |
| Formula | C10H11ClO3S |
| InChI | InChI=1S/C10H11ClO3S/c1-14-10(12)6-7-15(13)9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3 |
| InChIKey | BDAVDIOUAVWHGY-UHFFFAOYSA-N |
| Molecular Weight | 246.708 g/mol |
| SMILES | C=1(S(CCC(=O)OC)=O)C=CC(=CC1)Cl |