![bis[3,4-Dimethylbenzyl]sulfide](/api/spectrum/71yrOOMC1zt/structure.png?h=300&w=458 "bis[3,4-Dimethylbenzyl]sulfide")
| SpectraBase Compound ID | IxJD39ME43v |
|---|---|
| InChI | InChI=1S/C18H22S/c1-13-5-7-17(9-15(13)3)11-19-12-18-8-6-14(2)16(4)10-18/h5-10H,11-12H2,1-4H3 |
| InChIKey | DXAQAFQXPGWFRX-UHFFFAOYSA-N |
| Mol Weight | 270.43 g/mol |
| Molecular Formula | C18H22S |
| Exact Mass | 270.144222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 71yrOOMC1zt |
|---|---|
| Name | bis[3,4-Dimethylbenzyl]sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.144221882 u |
| Formula | C18H22S |
| InChI | InChI=1S/C18H22S/c1-13-5-7-17(9-15(13)3)11-19-12-18-8-6-14(2)16(4)10-18/h5-10H,11-12H2,1-4H3 |
| InChIKey | DXAQAFQXPGWFRX-UHFFFAOYSA-N |
| Molecular Weight | 270.434 g/mol |
| SMILES | C1=C(C=CC(=C1C)C)CSCC1=CC(=C(C=C1)C)C |