| SpectraBase Compound ID | KJAMju9LCun |
|---|---|
| InChI | InChI=1S/C9H8ClNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12) |
| InChIKey | QKDOVTGWTBEYMG-UHFFFAOYSA-N |
| Mol Weight | 181.62 g/mol |
| Molecular Formula | C9H8ClNO |
| Exact Mass | 181.029442 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CXpuxbARzDl |
|---|---|
| Name | 6-Chloro-1,2,3,4-tetrahydroquinolin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.029441581 u |
| Formula | C9H8ClNO |
| InChI | InChI=1S/C9H8ClNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12) |
| InChIKey | QKDOVTGWTBEYMG-UHFFFAOYSA-N |
| Molecular Weight | 181.622 g/mol |
| SMILES | C1=2NC(CCC2C=C(Cl)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887845 |