![Benzene, 1,1'-[[1-(3-methylbutyl)-1,2-ethanediyl]bis(thio)]bis-](/api/spectrum/DvwpB8VLIsB/structure.png?h=300&w=458 "Benzene, 1,1'-[[1-(3-methylbutyl)-1,2-ethanediyl]bis(thio)]bis-")
| SpectraBase Compound ID | JItCyH6KdIc |
|---|---|
| InChI | InChI=1S/C19H24S2/c1-16(2)13-14-19(21-18-11-7-4-8-12-18)15-20-17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3 |
| InChIKey | BRPJWSLPLRVTLX-UHFFFAOYSA-N |
| Mol Weight | 316.52 g/mol |
| Molecular Formula | C19H24S2 |
| Exact Mass | 316.131943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DvwpB8VLIsB |
|---|---|
| Name | Benzene, 1,1'-[[1-(3-methylbutyl)-1,2-ethanediyl]bis(thio)]bis- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.131943121 u |
| Formula | C19H24S2 |
| InChI | InChI=1S/C19H24S2/c1-16(2)13-14-19(21-18-11-7-4-8-12-18)15-20-17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3 |
| InChIKey | BRPJWSLPLRVTLX-UHFFFAOYSA-N |
| Molecular Weight | 316.521 g/mol |
| SMILES | C1(SC(CSC=2C=CC=CC2)CCC(C)C)=CC=CC=C1 |