| SpectraBase Compound ID | JqtmhgLr3eQ |
|---|---|
| InChI | InChI=1S/C10H10O3S/c1-12-8-3-6-5-14-10(11)7(6)4-9(8)13-2/h3-4H,5H2,1-2H3 |
| InChIKey | GMSFQIBOCCJENU-UHFFFAOYSA-N |
| Mol Weight | 210.25 g/mol |
| Molecular Formula | C10H10O3S |
| Exact Mass | 210.035065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DeC8zR6ARsd |
|---|---|
| Name | 5,6-Dimethoxy-2-thiophthalide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.035065353 u |
| Formula | C10H10O3S |
| InChI | InChI=1S/C10H10O3S/c1-12-8-3-6-5-14-10(11)7(6)4-9(8)13-2/h3-4H,5H2,1-2H3 |
| InChIKey | GMSFQIBOCCJENU-UHFFFAOYSA-N |
| Molecular Weight | 210.247 g/mol |
| SMILES | C=12C(SCC2=CC(=C(C1)OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946103 |