| SpectraBase Compound ID | 6PDoj4DxojD |
|---|---|
| InChI | InChI=1S/C10H9NOS/c1-13-9-6-11-8-5-3-2-4-7(8)10(9)12/h2-6H,1H3,(H,11,12) |
| InChIKey | NIHKTRKXDVGDIF-UHFFFAOYSA-N |
| Mol Weight | 191.25 g/mol |
| Molecular Formula | C10H9NOS |
| Exact Mass | 191.040485 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LciktGjacpJ |
|---|---|
| Name | 3-Methylmercapto-4-(1-H)-quinolinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.040485087 u |
| Formula | C10H9NOS |
| InChI | InChI=1S/C10H9NOS/c1-13-9-6-11-8-5-3-2-4-7(8)10(9)12/h2-6H,1H3,(H,11,12) |
| InChIKey | NIHKTRKXDVGDIF-UHFFFAOYSA-N |
| Molecular Weight | 191.248 g/mol |
| SMILES | C=1NC2=CC=CC=C2C(C1SC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920185 |