![[(Hexylsulfinyl)methyl]benzene](/api/spectrum/653Vl39OUpq/structure.png?h=300&w=458 "[(Hexylsulfinyl)methyl]benzene")
| SpectraBase Compound ID | 3PLPAC6kazE |
|---|---|
| InChI | InChI=1S/C13H20OS/c1-2-3-4-8-11-15(14)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3 |
| InChIKey | PHCIFWWBMFKHLL-UHFFFAOYSA-N |
| Mol Weight | 224.36 g/mol |
| Molecular Formula | C13H20OS |
| Exact Mass | 224.123486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 653Vl39OUpq |
|---|---|
| Name | [(Hexylsulfinyl)methyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.123486437 u |
| Formula | C13H20OS |
| InChI | InChI=1S/C13H20OS/c1-2-3-4-8-11-15(14)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3 |
| InChIKey | PHCIFWWBMFKHLL-UHFFFAOYSA-N |
| Molecular Weight | 224.362 g/mol |
| SMILES | C1=CC=C(CS(=O)CCCCCC)C=C1 |