| SpectraBase Compound ID | a6TodN0IlE |
|---|---|
| InChI | InChI=1S/C9H12O3S/c1-11-7-3-6(5-10)9(13)4-8(7)12-2/h3-4,10,13H,5H2,1-2H3 |
| InChIKey | AJRPGFOIXSSPNK-UHFFFAOYSA-N |
| Mol Weight | 200.25 g/mol |
| Molecular Formula | C9H12O3S |
| Exact Mass | 200.050715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GF6Ceie6jsm |
|---|---|
| Name | 2-Mercapto-4,5-dimethoxybenzyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.050715417 u |
| Formula | C9H12O3S |
| InChI | InChI=1S/C9H12O3S/c1-11-7-3-6(5-10)9(13)4-8(7)12-2/h3-4,10,13H,5H2,1-2H3 |
| InChIKey | AJRPGFOIXSSPNK-UHFFFAOYSA-N |
| Molecular Weight | 200.252 g/mol |
| SMILES | C1=C(C(CO)=CC(=C1OC)OC)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945571 |