![Benzene, 1-chloro-4-[(ethylthio)methyl]-; sulfide, p-chlorobenzyl ethyl](/api/spectrum/9lJSCL9PyQs/structure.png?h=300&w=458 "Benzene, 1-chloro-4-[(ethylthio)methyl]-; sulfide, p-chlorobenzyl ethyl")
| SpectraBase Compound ID | DYPbZsv6WkO |
|---|---|
| InChI | InChI=1S/C9H11ClS/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6H,2,7H2,1H3 |
| InChIKey | ZTXIQPAPRRNGTQ-UHFFFAOYSA-N |
| Mol Weight | 186.7 g/mol |
| Molecular Formula | C9H11ClS |
| Exact Mass | 186.026999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9lJSCL9PyQs |
|---|---|
| Name | Benzene, 1-chloro-4-[(ethylthio)methyl]-; sulfide, p-chlorobenzyl ethyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.026999228 u |
| Formula | C9H11ClS |
| InChI | InChI=1S/C9H11ClS/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6H,2,7H2,1H3 |
| InChIKey | ZTXIQPAPRRNGTQ-UHFFFAOYSA-N |
| Molecular Weight | 186.700 g/mol |
| SMILES | C1(=CC=C(C=C1)Cl)CSCC |