| SpectraBase Compound ID | sTDX0nrICx |
|---|---|
| InChI | InChI=1S/C9H10O3S/c1-12-7-4-2-3-5-8(7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| InChIKey | UGPJOWVEIXPMSH-UHFFFAOYSA-N |
| Mol Weight | 198.24 g/mol |
| Molecular Formula | C9H10O3S |
| Exact Mass | 198.035065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3xJcUS24mYd |
|---|---|
| Name | (o-Methoxyphenylthio)acetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.035065353 u |
| Formula | C9H10O3S |
| InChI | InChI=1S/C9H10O3S/c1-12-7-4-2-3-5-8(7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| InChIKey | UGPJOWVEIXPMSH-UHFFFAOYSA-N |
| Molecular Weight | 198.236 g/mol |
| SMILES | C1(=C(C=CC=C1)SCC(O)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839969 |