| SpectraBase Compound ID | DykV1Z6152A |
|---|---|
| InChI | InChI=1S/C11H13ClO2S/c1-15-8-4-7-14-11(13)9-5-2-3-6-10(9)12/h2-3,5-6H,4,7-8H2,1H3 |
| InChIKey | RRRXIKYADFCJDU-UHFFFAOYSA-N |
| Mol Weight | 244.74 g/mol |
| Molecular Formula | C11H13ClO2S |
| Exact Mass | 244.032479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11htW7AGkDp |
|---|---|
| Name | 3-(Methylthio)propyl 2-chlorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.032478531 u |
| Formula | C11H13ClO2S |
| InChI | InChI=1S/C11H13ClO2S/c1-15-8-4-7-14-11(13)9-5-2-3-6-10(9)12/h2-3,5-6H,4,7-8H2,1H3 |
| InChIKey | RRRXIKYADFCJDU-UHFFFAOYSA-N |
| Molecular Weight | 244.736 g/mol |
| SMILES | CSCCCOC(C1=CC=CC=C1Cl)=O |