| SpectraBase Compound ID | DHR237SFyo2 |
|---|---|
| InChI | InChI=1S/C16H16Cl2S/c1-11-6-7-13(8-12(11)2)9-19-10-14-15(17)4-3-5-16(14)18/h3-8H,9-10H2,1-2H3 |
| InChIKey | HSKZYLWMFGAYAI-UHFFFAOYSA-N |
| Mol Weight | 311.27 g/mol |
| Molecular Formula | C16H16Cl2S |
| Exact Mass | 310.034977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FBVb3eAmOaQ |
|---|---|
| Name | 2,6-Dichlorobenzyl 3,4-dimethylbenzyl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.034977089 u |
| Formula | C16H16Cl2S |
| InChI | InChI=1S/C16H16Cl2S/c1-11-6-7-13(8-12(11)2)9-19-10-14-15(17)4-3-5-16(14)18/h3-8H,9-10H2,1-2H3 |
| InChIKey | HSKZYLWMFGAYAI-UHFFFAOYSA-N |
| Molecular Weight | 311.270 g/mol |
| SMILES | C=1C(=CC=C(C1C)C)CSCC=1C(=CC=CC1Cl)Cl |