| SpectraBase Compound ID | 7pJsQKqLyu0 |
|---|---|
| InChI | InChI=1S/C9H10O2S/c1-7(10)12-9-5-3-4-8(6-9)11-2/h3-6H,1-2H3 |
| InChIKey | BSUMOLODBDMGEB-UHFFFAOYSA-N |
| Mol Weight | 182.24 g/mol |
| Molecular Formula | C9H10O2S |
| Exact Mass | 182.040151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3FeCpAFHh0s |
|---|---|
| Name | Ethanethioic acid, S-(3-methoxyphenyl) ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.040150734 u |
| Formula | C9H10O2S |
| InChI | InChI=1S/C9H10O2S/c1-7(10)12-9-5-3-4-8(6-9)11-2/h3-6H,1-2H3 |
| InChIKey | BSUMOLODBDMGEB-UHFFFAOYSA-N |
| Molecular Weight | 182.237 g/mol |
| SMILES | C1=C(C=C(C=C1)OC)SC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920288 |