| SpectraBase Compound ID | ECAb0LC0Pkd |
|---|---|
| InChI | InChI=1S/C13H18O3S2/c1-14-10-7-9(13-17-5-4-6-18-13)8-11(15-2)12(10)16-3/h7-8,13H,4-6H2,1-3H3 |
| InChIKey | QOWQNDBUFBXLMY-UHFFFAOYSA-N |
| Mol Weight | 286.4 g/mol |
| Molecular Formula | C13H18O3S2 |
| Exact Mass | 286.069737 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EjT5Y9FYPyh |
|---|---|
| Name | 2-(3,4,5-Trimethoxyphenyl)-1,3-dithiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.069736785 u |
| Formula | C13H18O3S2 |
| InChI | InChI=1S/C13H18O3S2/c1-14-10-7-9(13-17-5-4-6-18-13)8-11(15-2)12(10)16-3/h7-8,13H,4-6H2,1-3H3 |
| InChIKey | QOWQNDBUFBXLMY-UHFFFAOYSA-N |
| SMILES | C1(SCCCS1)C=1C=C(C(=C(C1)OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929721 |