| SpectraBase Compound ID | 7DvKp5XHt0U |
|---|---|
| InChI | InChI=1S/C9H6INO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12) |
| InChIKey | ZAZOVHUNVUSQMU-UHFFFAOYSA-N |
| Mol Weight | 271.06 g/mol |
| Molecular Formula | C9H6INO |
| Exact Mass | 270.949409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EQOnbB1T50A |
|---|---|
| Name | 6-Iodoquinolin-4(1H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.949408816 u |
| Formula | C9H6INO |
| InChI | InChI=1S/C9H6INO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12) |
| InChIKey | ZAZOVHUNVUSQMU-UHFFFAOYSA-N |
| Molecular Weight | 271.057 g/mol |
| SMILES | C1=2C(C=CNC2C=CC(=C1)I)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878754 |