![Benzene, 1,1'-[(1-propylhexylidene)bis(thio)]bis-](/api/spectrum/AnEWB9w8IhJ/structure.png?h=300&w=458 "Benzene, 1,1'-[(1-propylhexylidene)bis(thio)]bis-")
| SpectraBase Compound ID | GCZWISkCyaI |
|---|---|
| InChI | InChI=1S/C21H28S2/c1-3-5-12-18-21(17-4-2,22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h6-11,13-16H,3-5,12,17-18H2,1-2H3 |
| InChIKey | JLOVWWMNYBALQW-UHFFFAOYSA-N |
| Mol Weight | 344.58 g/mol |
| Molecular Formula | C21H28S2 |
| Exact Mass | 344.163243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AnEWB9w8IhJ |
|---|---|
| Name | Benzene, 1,1'-[(1-propylhexylidene)bis(thio)]bis- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.163243250 u |
| Formula | C21H28S2 |
| InChI | InChI=1S/C21H28S2/c1-3-5-12-18-21(17-4-2,22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h6-11,13-16H,3-5,12,17-18H2,1-2H3 |
| InChIKey | JLOVWWMNYBALQW-UHFFFAOYSA-N |
| Molecular Weight | 344.575 g/mol |
| SMILES | C(SC=1C=CC=CC1)(SC=1C=CC=CC1)(CCC)CCCCC |