| SpectraBase Compound ID | GidyeIiHvb6 |
|---|---|
| InChI | InChI=1S/C9H8O3S/c1-13-9-6(4-10)2-3-7-8(9)12-5-11-7/h2-4H,5H2,1H3 |
| InChIKey | OKLTUYUGVOQAMN-UHFFFAOYSA-N |
| Mol Weight | 196.22 g/mol |
| Molecular Formula | C9H8O3S |
| Exact Mass | 196.019415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7Bf51hajjRP |
|---|---|
| Name | 4-(Methylthio)-1,3-benzodioxole-5-carboxaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.019415289 u |
| Formula | C9H8O3S |
| InChI | InChI=1S/C9H8O3S/c1-13-9-6(4-10)2-3-7-8(9)12-5-11-7/h2-4H,5H2,1H3 |
| InChIKey | OKLTUYUGVOQAMN-UHFFFAOYSA-N |
| Molecular Weight | 196.220 g/mol |
| SMILES | C12=C(C(C=O)=CC=C2OCO1)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95381 |