| SpectraBase Compound ID | 9t1ipzGD1Ed |
|---|---|
| InChI | InChI=1S/C9H5F2NO/c10-6-1-2-8-5(3-6)4-7(11)9(13)12-8/h1-4H,(H,12,13) |
| InChIKey | JEXOIMREZTYMSR-UHFFFAOYSA-N |
| Mol Weight | 181.14 g/mol |
| Molecular Formula | C9H5F2NO |
| Exact Mass | 181.03392 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FWZh02IncdW |
|---|---|
| Name | 3,6-Difluoroquinolin-2(1H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.033920110 u |
| Formula | C9H5F2NO |
| InChI | InChI=1S/C9H5F2NO/c10-6-1-2-8-5(3-6)4-7(11)9(13)12-8/h1-4H,(H,12,13) |
| InChIKey | JEXOIMREZTYMSR-UHFFFAOYSA-N |
| Molecular Weight | 181.142 g/mol |
| SMILES | C1(NC=2C=CC(=CC2C=C1F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927485 |