| SpectraBase Compound ID | 1m4FQyl58Cl |
|---|---|
| InChI | InChI=1S/C12H16O4S/c13-17(14,11-5-2-1-3-6-11)10-4-7-12-15-8-9-16-12/h1-3,5-6,12H,4,7-10H2 |
| InChIKey | BDFKFGVSRFVIPB-UHFFFAOYSA-N |
| Mol Weight | 256.32 g/mol |
| Molecular Formula | C12H16O4S |
| Exact Mass | 256.07693 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K6DUNrPnvF3 |
|---|---|
| Name | 2-(3-Besylpropyl)-1,3-dioxolane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.076930165 u |
| Formula | C12H16O4S |
| InChI | InChI=1S/C12H16O4S/c13-17(14,11-5-2-1-3-6-11)10-4-7-12-15-8-9-16-12/h1-3,5-6,12H,4,7-10H2 |
| InChIKey | BDFKFGVSRFVIPB-UHFFFAOYSA-N |
| SMILES | C=1(S(=O)(=O)CCCC2OCCO2)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924752 |