| SpectraBase Compound ID | JGFEayo8h5P |
|---|---|
| InChI | InChI=1S/C9H11NOS/c1-11-9(12)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,12) |
| InChIKey | HLVIWUVHOXMUET-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 | 4mVVlzdZmKp |
|---|---|
| Name | o-Methyl benzylcarbamothioate |
| 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/c1-11-9(12)10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,12) |
| InChIKey | HLVIWUVHOXMUET-UHFFFAOYSA-N |
| Molecular Weight | 181.253 g/mol |
| SMILES | C(=S)(NCC1=CC=CC=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938302 |