![5-[bis(Benzylsulfanyl)methyl]-1,3-benzodioxole](/api/spectrum/560rDf1YiQH/structure.png?h=300&w=458 "5-[bis(Benzylsulfanyl)methyl]-1,3-benzodioxole")
| SpectraBase Compound ID | ISTYgXDNvvQ |
|---|---|
| InChI | InChI=1S/C22H20O2S2/c1-3-7-17(8-4-1)14-25-22(26-15-18-9-5-2-6-10-18)19-11-12-20-21(13-19)24-16-23-20/h1-13,22H,14-16H2 |
| InChIKey | KWUQLYZNZIXVAZ-UHFFFAOYSA-N |
| Mol Weight | 380.52 g/mol |
| Molecular Formula | C22H20O2S2 |
| Exact Mass | 380.090472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 560rDf1YiQH |
|---|---|
| Name | 5-[bis(Benzylsulfanyl)methyl]-1,3-benzodioxole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.090472230 u |
| Formula | C22H20O2S2 |
| InChI | InChI=1S/C22H20O2S2/c1-3-7-17(8-4-1)14-25-22(26-15-18-9-5-2-6-10-18)19-11-12-20-21(13-19)24-16-23-20/h1-13,22H,14-16H2 |
| InChIKey | KWUQLYZNZIXVAZ-UHFFFAOYSA-N |
| Molecular Weight | 380.520 g/mol |
| SMILES | C12=CC(C(SCC3=CC=CC=C3)SCC=3C=CC=CC3)=CC=C2OCO1 |