| SpectraBase Compound ID | HSSG0FtqlRs |
|---|---|
| InChI | InChI=1S/C9H4Cl3NO/c10-4-3-5(11)9-7(8(4)12)6(14)1-2-13-9/h1-3H,(H,13,14) |
| InChIKey | RLUVCBKFEQSDBV-UHFFFAOYSA-N |
| Mol Weight | 248.5 g/mol |
| Molecular Formula | C9H4Cl3NO |
| Exact Mass | 246.935847 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 857t2dJBrzb |
|---|---|
| Name | 5,6,8-Trichloroquinolin-4(1H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.935846852 u |
| Formula | C9H4Cl3NO |
| InChI | InChI=1S/C9H4Cl3NO/c10-4-3-5(11)9-7(8(4)12)6(14)1-2-13-9/h1-3H,(H,13,14) |
| InChIKey | RLUVCBKFEQSDBV-UHFFFAOYSA-N |
| Molecular Weight | 248.496 g/mol |
| SMILES | C12=C(C(Cl)=CC(=C2Cl)Cl)NC=CC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933114 |