![[(2-Methyl-4,6-dioxaheptyl)thio]benzene](/api/spectrum/zvdzuNwR4t/structure.png?h=300&w=458 "[(2-Methyl-4,6-dioxaheptyl)thio]benzene")
| SpectraBase Compound ID | IaejwpnjDsE |
|---|---|
| InChI | InChI=1S/C12H18O2S/c1-11(8-14-10-13-2)9-15-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 |
| InChIKey | CYABVTLBIJOTOX-UHFFFAOYSA-N |
| Mol Weight | 226.33 g/mol |
| Molecular Formula | C12H18O2S |
| Exact Mass | 226.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | zvdzuNwR4t |
|---|---|
| Name | [(2-Methyl-4,6-dioxaheptyl)thio]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.102750992 u |
| Formula | C12H18O2S |
| InChI | InChI=1S/C12H18O2S/c1-11(8-14-10-13-2)9-15-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3 |
| InChIKey | CYABVTLBIJOTOX-UHFFFAOYSA-N |
| Molecular Weight | 226.334 g/mol |
| SMILES | C1=CC=CC(=C1)SCC(COCOC)C |