![2-[4-(Phenylthio)butyl]-1,3-dioxolane](/api/spectrum/C0WvACJ79Wp/structure.png?h=300&w=458 "2-[4-(Phenylthio)butyl]-1,3-dioxolane")
| SpectraBase Compound ID | FbymzZ4xD6q |
|---|---|
| InChI | InChI=1S/C13H18O2S/c1-2-6-12(7-3-1)16-11-5-4-8-13-14-9-10-15-13/h1-3,6-7,13H,4-5,8-11H2 |
| InChIKey | YWDXDMVGYKIKIK-UHFFFAOYSA-N |
| Mol Weight | 238.34 g/mol |
| Molecular Formula | C13H18O2S |
| Exact Mass | 238.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0WvACJ79Wp |
|---|---|
| Name | 2-[4-(Phenylthio)butyl]-1,3-dioxolane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.102750992 u |
| Formula | C13H18O2S |
| InChI | InChI=1S/C13H18O2S/c1-2-6-12(7-3-1)16-11-5-4-8-13-14-9-10-15-13/h1-3,6-7,13H,4-5,8-11H2 |
| InChIKey | YWDXDMVGYKIKIK-UHFFFAOYSA-N |
| Molecular Weight | 238.345 g/mol |
| SMILES | C1(OCCO1)CCCCSC=1C=CC=CC1 |