![3-[(2'-Chlorophenyl)thio]-1-propane](/api/spectrum/27qfeWvFiSe/structure.png?h=300&w=458 "3-[(2'-Chlorophenyl)thio]-1-propane")
| SpectraBase Compound ID | 6UZQNIKjVdJ |
|---|---|
| InChI | InChI=1S/C9H9ClS/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H2 |
| InChIKey | CCSHMLTWCWPDFH-UHFFFAOYSA-N |
| Mol Weight | 184.68 g/mol |
| Molecular Formula | C9H9ClS |
| Exact Mass | 184.011349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 27qfeWvFiSe |
|---|---|
| Name | 3-[(2'-Chlorophenyl)thio]-1-propane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.011349164 u |
| Formula | C9H9ClS |
| InChI | InChI=1S/C9H9ClS/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H2 |
| InChIKey | CCSHMLTWCWPDFH-UHFFFAOYSA-N |
| Molecular Weight | 184.684 g/mol |
| SMILES | C1(=C(Cl)C=CC=C1)SCC=C |