| SpectraBase Compound ID | Ke5QNowNhF3 |
|---|---|
| InChI | InChI=1S/C9H8ClNS/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12) |
| InChIKey | SENNPAZFZFGURW-UHFFFAOYSA-N |
| Mol Weight | 197.68 g/mol |
| Molecular Formula | C9H8ClNS |
| Exact Mass | 197.006598 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2BRoMrWPTiQ |
|---|---|
| Name | 6-Chloranyl-3,4-dihydro-1H-quinoline-2-thione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.006598136 u |
| Formula | C9H8ClNS |
| InChI | InChI=1S/C9H8ClNS/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12) |
| InChIKey | SENNPAZFZFGURW-UHFFFAOYSA-N |
| Molecular Weight | 197.683 g/mol |
| SMILES | C1=2NC(CCC2C=C(C=C1)Cl)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851724 |