| SpectraBase Compound ID | FKphQqvuF7c |
|---|---|
| InChI | InChI=1S/C25H42S/c1-4-7-9-11-13-18-22-25(6-3,23-19-14-12-10-8-5-2)26-24-20-16-15-17-21-24/h6,15-17,20-21H,3-5,7-14,18-19,22-23H2,1-2H3 |
| InChIKey | SSHNHDHPZMXESE-UHFFFAOYSA-N |
| Mol Weight | 374.7 g/mol |
| Molecular Formula | C25H42S |
| Exact Mass | 374.300723 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CbkilDFJrut |
|---|---|
| Name | 1,1-Dioctylallyl phenyl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.300722526 u |
| Formula | C25H42S |
| InChI | InChI=1S/C25H42S/c1-4-7-9-11-13-18-22-25(6-3,23-19-14-12-10-8-5-2)26-24-20-16-15-17-21-24/h6,15-17,20-21H,3-5,7-14,18-19,22-23H2,1-2H3 |
| InChIKey | SSHNHDHPZMXESE-UHFFFAOYSA-N |
| Molecular Weight | 374.671 g/mol |
| SMILES | C(SC1=CC=CC=C1)(C=C)(CCCCCCCC)CCCCCCCC |