| SpectraBase Compound ID | C1oUEKZS8ml |
|---|---|
| InChI | InChI=1S/C10H12O3S/c1-7(11)14-10-6-8(12-2)4-5-9(10)13-3/h4-6H,1-3H3 |
| InChIKey | VVKQOYYATJUZQO-UHFFFAOYSA-N |
| Mol Weight | 212.26 g/mol |
| Molecular Formula | C10H12O3S |
| Exact Mass | 212.050715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7GaLhXa99no |
|---|---|
| Name | 2,5-Dimethoxythiophenol, S-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.050715417 u |
| Formula | C10H12O3S |
| InChI | InChI=1S/C10H12O3S/c1-7(11)14-10-6-8(12-2)4-5-9(10)13-3/h4-6H,1-3H3 |
| InChIKey | VVKQOYYATJUZQO-UHFFFAOYSA-N |
| Molecular Weight | 212.263 g/mol |
| SMILES | C1(SC(C)=O)=C(C=CC(=C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844572 |