![2-[(E)-hex-1-enyl]sulfanylethylbenzene](/api/spectrum/IW10wL4Vc1u/structure.png?h=300&w=458 "2-[(E)-hex-1-enyl]sulfanylethylbenzene")
| SpectraBase Compound ID | 4nghexCYAcu |
|---|---|
| InChI | InChI=1S/C14H20S/c1-2-3-4-8-12-15-13-11-14-9-6-5-7-10-14/h5-10,12H,2-4,11,13H2,1H3/b12-8+ |
| InChIKey | VUVDFJLJIIJMHG-XYOKQWHBSA-N |
| Mol Weight | 220.37 g/mol |
| Molecular Formula | C14H20S |
| Exact Mass | 220.128572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IW10wL4Vc1u |
|---|---|
| Name | 2-[(E)-hex-1-Enyl]sulfanylethylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.128571818 u |
| Formula | C14H20S |
| InChI | InChI=1S/C14H20S/c1-2-3-4-8-12-15-13-11-14-9-6-5-7-10-14/h5-10,12H,2-4,11,13H2,1H3/b12-8+ |
| InChIKey | VUVDFJLJIIJMHG-XYOKQWHBSA-N |
| Molecular Weight | 220.374 g/mol |
| SMILES | C(\C=C\SCCC=1C=CC=CC1)CCC |