| SpectraBase Compound ID | BD98KJRaTxq |
|---|---|
| InChI | InChI=1S/C9H10OS3/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5,10H,1-2H3 |
| InChIKey | VDAHRIDQVTZIJE-UHFFFAOYSA-N |
| Mol Weight | 230.36 g/mol |
| Molecular Formula | C9H10OS3 |
| Exact Mass | 229.989378 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LIu153n9y2Q |
|---|---|
| Name | Methyl 2-hydroxy-5-(methylthio)dithiobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.989378463 u |
| Formula | C9H10OS3 |
| InChI | InChI=1S/C9H10OS3/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5,10H,1-2H3 |
| InChIKey | VDAHRIDQVTZIJE-UHFFFAOYSA-N |
| Molecular Weight | 230.358 g/mol |
| SMILES | C(C=1C(=CC=C(C1)SC)O)(SC)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910815 |