| SpectraBase Compound ID | 3AjS6sfyMKY |
|---|---|
| InChI | InChI=1S/C8H10O2S/c1-9-6-3-4-8(11)7(5-6)10-2/h3-5,11H,1-2H3 |
| InChIKey | FZHTUELUUNCLRZ-UHFFFAOYSA-N |
| Mol Weight | 170.23 g/mol |
| Molecular Formula | C8H10O2S |
| Exact Mass | 170.040151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Xnc7qNwS3O |
|---|---|
| Name | 2,4-Dimethoxythiophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.040150734 u |
| Formula | C8H10O2S |
| InChI | InChI=1S/C8H10O2S/c1-9-6-3-4-8(11)7(5-6)10-2/h3-5,11H,1-2H3 |
| InChIKey | FZHTUELUUNCLRZ-UHFFFAOYSA-N |
| Molecular Weight | 170.226 g/mol |
| SMILES | COC1=CC(OC)=CC=C1S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9716 |