| SpectraBase Compound ID | 4p5fov53wIc |
|---|---|
| InChI | InChI=1S/C9H11NO2S/c1-12-8-5-3-7(4-6-8)10-9(11)13-2/h3-6H,1-2H3,(H,10,11) |
| InChIKey | DGLAYUTXZCQULM-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 | IyvELBSGGnh |
|---|---|
| Name | S-Methyl 4-methoxyphenylcarbamothioate |
| 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/c1-12-8-5-3-7(4-6-8)10-9(11)13-2/h3-6H,1-2H3,(H,10,11) |
| InChIKey | DGLAYUTXZCQULM-UHFFFAOYSA-N |
| Molecular Weight | 197.252 g/mol |
| SMILES | C(NC=1C=CC(=CC1)OC)(=O)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93361 |