| SpectraBase Compound ID | FUTGPB7p9LV |
|---|---|
| InChI | InChI=1S/C11H10BrNO2/c1-7(14)13-6-5-10(15)8-3-2-4-9(12)11(8)13/h2-4H,5-6H2,1H3 |
| InChIKey | OCBXUTDWDVAYPL-UHFFFAOYSA-N |
| Mol Weight | 268.11 g/mol |
| Molecular Formula | C11H10BrNO2 |
| Exact Mass | 266.989492 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JkQ5rmtZJDw |
|---|---|
| Name | 1-Acetyl-8-bromo-2,3-dihydro-4(1H)-quinolone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.989491564 u |
| Formula | C11H10BrNO2 |
| InChI | InChI=1S/C11H10BrNO2/c1-7(14)13-6-5-10(15)8-3-2-4-9(12)11(8)13/h2-4H,5-6H2,1H3 |
| InChIKey | OCBXUTDWDVAYPL-UHFFFAOYSA-N |
| SMILES | C1(=O)C=2C(N(CC1)C(C)=O)=C(C=CC2)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811077 |