![(E)-1-[((E)-undec-1-enyl)sulfanyl]-undec-1-ene](/api/spectrum/2ooBi0UHJ2P/structure.png?h=300&w=458 "(E)-1-[((E)-undec-1-enyl)sulfanyl]-undec-1-ene")
| SpectraBase Compound ID | BA4ka5dRwBc |
|---|---|
| InChI | InChI=1S/C22H42S/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3 |
| InChIKey | RCNDHHFIBVIXBN-UHFFFAOYSA-N |
| Mol Weight | 338.6 g/mol |
| Molecular Formula | C22H42S |
| Exact Mass | 338.300723 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ooBi0UHJ2P |
|---|---|
| Name | (E)-1-[((E)-undec-1-enyl)sulfanyl]-undec-1-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.300722526 u |
| Formula | C22H42S |
| InChI | InChI=1S/C22H42S/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3 |
| InChIKey | RCNDHHFIBVIXBN-UHFFFAOYSA-N |
| Molecular Weight | 338.638 g/mol |
| SMILES | C(SC=CCCCCCCCCC)=CCCCCCCCCC |