![1-[[(E)-hex-1-enyl]sulfanylmethyl]-4-methoxy-benzene](/api/spectrum/14FdJ0DGhCP/structure.png?h=300&w=458 "1-[[(E)-hex-1-enyl]sulfanylmethyl]-4-methoxy-benzene")
| SpectraBase Compound ID | 8uOSJHC7eu8 |
|---|---|
| InChI | InChI=1S/C14H20OS/c1-3-4-5-6-11-16-12-13-7-9-14(15-2)10-8-13/h6-11H,3-5,12H2,1-2H3/b11-6+ |
| InChIKey | CIPHOJWPIYCQFK-IZZDOVSWSA-N |
| Mol Weight | 236.37 g/mol |
| Molecular Formula | C14H20OS |
| Exact Mass | 236.123486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14FdJ0DGhCP |
|---|---|
| Name | 1-[[(E)-hex-1-enyl]sulfanylmethyl]-4-methoxy-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.123486437 u |
| Formula | C14H20OS |
| InChI | InChI=1S/C14H20OS/c1-3-4-5-6-11-16-12-13-7-9-14(15-2)10-8-13/h6-11H,3-5,12H2,1-2H3/b11-6+ |
| InChIKey | CIPHOJWPIYCQFK-IZZDOVSWSA-N |
| Molecular Weight | 236.373 g/mol |
| SMILES | C(\C=C\SCC=1C=CC(=CC1)OC)CCC |