| SpectraBase Compound ID | I99jUBAqTuo |
|---|---|
| InChI | InChI=1S/C9H9ClS2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3 |
| InChIKey | BCEZCHSBPQSZFS-UHFFFAOYSA-N |
| Mol Weight | 216.74 g/mol |
| Molecular Formula | C9H9ClS2 |
| Exact Mass | 215.98342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CzLKkVj2IHX |
|---|---|
| Name | Benzenecarbodithioic acid, 4-chloro-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.983420338 u |
| Formula | C9H9ClS2 |
| InChI | InChI=1S/C9H9ClS2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3 |
| InChIKey | BCEZCHSBPQSZFS-UHFFFAOYSA-N |
| Molecular Weight | 216.744 g/mol |
| SMILES | C(SCC)(=S)C1=CC=C(C=C1)Cl |