| SpectraBase Compound ID | I0kS2napHrJ |
|---|---|
| InChI | InChI=1S/C11H9NO2/c1-7(13)8-2-3-10-9(6-8)11(14)4-5-12-10/h2-6H,1H3,(H,12,14) |
| InChIKey | JTYDDKRQIWNXEN-UHFFFAOYSA-N |
| Mol Weight | 187.2 g/mol |
| Molecular Formula | C11H9NO2 |
| Exact Mass | 187.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fy3WGLUU8JD |
|---|---|
| Name | 6-Acetyl-1H-quinolin-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.063328532 u |
| Formula | C11H9NO2 |
| InChI | InChI=1S/C11H9NO2/c1-7(13)8-2-3-10-9(6-8)11(14)4-5-12-10/h2-6H,1H3,(H,12,14) |
| InChIKey | JTYDDKRQIWNXEN-UHFFFAOYSA-N |
| Molecular Weight | 187.198 g/mol |
| SMILES | C=1NC=2C=CC(=CC2C(C1)=O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88814 |