| SpectraBase Compound ID | 8bn3EEInQ6B |
|---|---|
| InChI | InChI=1S/C10H13NOS/c1-7-4-8(2)6-9(5-7)11-10(12)13-3/h4-6H,1-3H3,(H,11,12) |
| InChIKey | DLIHKSDLIACJDL-UHFFFAOYSA-N |
| Mol Weight | 195.28 g/mol |
| Molecular Formula | C10H13NOS |
| Exact Mass | 195.071785 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BbSlwQ1PuDh |
|---|---|
| Name | S-Methyl 3,5-dimethylphenylcarbamothioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.071785216 u |
| Formula | C10H13NOS |
| InChI | InChI=1S/C10H13NOS/c1-7-4-8(2)6-9(5-7)11-10(12)13-3/h4-6H,1-3H3,(H,11,12) |
| InChIKey | DLIHKSDLIACJDL-UHFFFAOYSA-N |
| Molecular Weight | 195.280 g/mol |
| SMILES | C(NC=1C=C(C)C=C(C1)C)(=O)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944409 |