| SpectraBase Compound ID | CezxYFqdiBW |
|---|---|
| InChI | InChI=1S/C10H9NS/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3 |
| InChIKey | UHFHXGARFLWEAF-UHFFFAOYSA-N |
| Mol Weight | 175.25 g/mol |
| Molecular Formula | C10H9NS |
| Exact Mass | 175.04557 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FO3GVUQgF39 |
|---|---|
| Name | 1-Methyl-4-quinolinethione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.045570468 u |
| Formula | C10H9NS |
| InChI | InChI=1S/C10H9NS/c1-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3 |
| InChIKey | UHFHXGARFLWEAF-UHFFFAOYSA-N |
| Molecular Weight | 175.249 g/mol |
| SMILES | C12=C(N(C)C=CC2=S)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967694 |