| SpectraBase Compound ID | F77bb3Zw5Zr |
|---|---|
| InChI | InChI=1S/C10H14O3S/c1-7-5-8(12-2)9(13-3)6-10(7)14(4)11/h5-6H,1-4H3 |
| InChIKey | OZNTVIXYGTUPJY-UHFFFAOYSA-N |
| Mol Weight | 214.28 g/mol |
| Molecular Formula | C10H14O3S |
| Exact Mass | 214.066365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bb8yeX3cyy5 |
|---|---|
| Name | 1,2-Dimethoxy-4-methyl-5-(methylsulfinyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.066365482 u |
| Formula | C10H14O3S |
| InChI | InChI=1S/C10H14O3S/c1-7-5-8(12-2)9(13-3)6-10(7)14(4)11/h5-6H,1-4H3 |
| InChIKey | OZNTVIXYGTUPJY-UHFFFAOYSA-N |
| Molecular Weight | 214.279 g/mol |
| SMILES | CS(=O)C1=C(C=C(C(=C1)OC)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816295 |