| SpectraBase Compound ID | BARra0JEJht |
|---|---|
| InChI | InChI=1S/C11H13ClO2S/c1-15-7-3-6-14-11(13)9-4-2-5-10(12)8-9/h2,4-5,8H,3,6-7H2,1H3 |
| InChIKey | USPNEABHSBOOGK-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 | LNCzH6Vg9Zm |
|---|---|
| Name | 3-(Methylthio)propyl 3-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/c1-15-7-3-6-14-11(13)9-4-2-5-10(12)8-9/h2,4-5,8H,3,6-7H2,1H3 |
| InChIKey | USPNEABHSBOOGK-UHFFFAOYSA-N |
| Molecular Weight | 244.736 g/mol |
| SMILES | CSCCCOC(C1=CC=CC(=C1)Cl)=O |