| SpectraBase Compound ID | BYBUYjktElQ |
|---|---|
| InChI | InChI=1S/C16H12ClNO/c1-11-15(17)13-9-5-6-10-14(13)18(16(11)19)12-7-3-2-4-8-12/h2-10H,1H3 |
| InChIKey | CMSICHJQCRWYSX-UHFFFAOYSA-N |
| Mol Weight | 269.73 g/mol |
| Molecular Formula | C16H12ClNO |
| Exact Mass | 269.060742 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 83joi6yNfF2 |
|---|---|
| Name | 4-Chloro-3-methyl-1-phenylquinolin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.060741709 u |
| Formula | C16H12ClNO |
| InChI | InChI=1S/C16H12ClNO/c1-11-15(17)13-9-5-6-10-14(13)18(16(11)19)12-7-3-2-4-8-12/h2-10H,1H3 |
| InChIKey | CMSICHJQCRWYSX-UHFFFAOYSA-N |
| SMILES | C1(C(=C(Cl)C=2C(N1C1=CC=CC=C1)=CC=CC2)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944509 |