![1,3-Dioxolane, 2-methyl-2-[3-(phenylthio)propyl]-](/api/spectrum/LfJtNa2U4L/structure.png?h=300&w=458 "1,3-Dioxolane, 2-methyl-2-[3-(phenylthio)propyl]-")
| SpectraBase Compound ID | 2HOpc0LgFYg |
|---|---|
| InChI | InChI=1S/C13H18O2S/c1-13(14-9-10-15-13)8-5-11-16-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3 |
| InChIKey | SHYZPKUKFADYRJ-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 | LfJtNa2U4L |
|---|---|
| Name | 1,3-Dioxolane, 2-methyl-2-[3-(phenylthio)propyl]- |
| 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/c1-13(14-9-10-15-13)8-5-11-16-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3 |
| InChIKey | SHYZPKUKFADYRJ-UHFFFAOYSA-N |
| Molecular Weight | 238.345 g/mol |
| SMILES | C1(OCCO1)(CCCSC1=CC=CC=C1)C |