| SpectraBase Compound ID | DwjgZOZhWzc |
|---|---|
| InChI | InChI=1S/C9H12O2S2/c1-10-6-4-7(11-2)9(13-3)5-8(6)12/h4-5,12H,1-3H3 |
| InChIKey | ZRTVDXGNVXYVSN-UHFFFAOYSA-N |
| Mol Weight | 216.31 g/mol |
| Molecular Formula | C9H12O2S2 |
| Exact Mass | 216.027872 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LjO8vo9CbPE |
|---|---|
| Name | Benzenethiol, 2,4-dimethoxy-5-(methylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.027871972 u |
| Formula | C9H12O2S2 |
| InChI | InChI=1S/C9H12O2S2/c1-10-6-4-7(11-2)9(13-3)5-8(6)12/h4-5,12H,1-3H3 |
| InChIKey | ZRTVDXGNVXYVSN-UHFFFAOYSA-N |
| Molecular Weight | 216.313 g/mol |
| SMILES | C1=C(C(OC)=CC(=C1SC)OC)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949098 |