| SpectraBase Compound ID | 5kBA6PBIHPz |
|---|---|
| InChI | InChI=1S/C9H11NOS/c1-7-4-3-5-8(6-7)10-9(11)12-2/h3-6H,1-2H3,(H,10,11) |
| InChIKey | AUWNJDZERKNZRT-UHFFFAOYSA-N |
| Mol Weight | 181.25 g/mol |
| Molecular Formula | C9H11NOS |
| Exact Mass | 181.056135 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F83pLYhHlRn |
|---|---|
| Name | S-Methyl 3-tolylcarbamothioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.056135151 u |
| Formula | C9H11NOS |
| InChI | InChI=1S/C9H11NOS/c1-7-4-3-5-8(6-7)10-9(11)12-2/h3-6H,1-2H3,(H,10,11) |
| InChIKey | AUWNJDZERKNZRT-UHFFFAOYSA-N |
| Molecular Weight | 181.253 g/mol |
| SMILES | C(NC=1C=C(C)C=CC1)(=O)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926472 |