| SpectraBase Compound ID | XB45ZKQTok |
|---|---|
| InChI | InChI=1S/C13H18O2S/c1-2-5-12(6-3-1)11-16-10-4-7-13-14-8-9-15-13/h1-3,5-6,13H,4,7-11H2 |
| InChIKey | LQEGUVBYURKLFS-UHFFFAOYSA-N |
| Mol Weight | 238.34 g/mol |
| Molecular Formula | C13H18O2S |
| Exact Mass | 238.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KkIWPDYE9QL |
|---|---|
| Name | 2-[3-(Benzylthio)propyl)-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/c1-2-5-12(6-3-1)11-16-10-4-7-13-14-8-9-15-13/h1-3,5-6,13H,4,7-11H2 |
| InChIKey | LQEGUVBYURKLFS-UHFFFAOYSA-N |
| Molecular Weight | 238.345 g/mol |
| SMILES | C1(OCCO1)CCCSCC1=CC=CC=C1 |