| SpectraBase Compound ID | 9Wzw8WeLq2m |
|---|---|
| InChI | InChI=1S/C9H11NO2S/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H2,10,11) |
| InChIKey | ZDIZISRZPLBEAU-UHFFFAOYSA-N |
| Mol Weight | 197.25 g/mol |
| Molecular Formula | C9H11NO2S |
| Exact Mass | 197.05105 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3IAjhCdo0Gn |
|---|---|
| Name | 4-Methoxy-2-(methylthio)benzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.051049770 u |
| Formula | C9H11NO2S |
| InChI | InChI=1S/C9H11NO2S/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H2,10,11) |
| InChIKey | ZDIZISRZPLBEAU-UHFFFAOYSA-N |
| Molecular Weight | 197.252 g/mol |
| SMILES | C(C=1C(=CC(=CC1)OC)SC)(=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816513 |