SpectraBase Compound ID | GQTDJQkua2b |
---|---|
InChI | InChI=1S/C13H11NO2/c1-10(15)11-6-2-3-7-12(11)14-9-5-4-8-13(14)16/h2-9H,1H3 |
InChIKey | ZGWXCQWOLQMBSA-UHFFFAOYSA-N |
Mol Weight | 213.24 g/mol |
Molecular Formula | C13H11NO2 |
Exact Mass | 213.078979 g/mol |
SpectraBase Spectrum ID | Ftfq6qUtcV3 |
---|---|
Name | 1-(2-Acetylphenyl]-1H-pyridin-2-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 213.078978596 u |
Formula | C13H11NO2 |
InChI | InChI=1S/C13H11NO2/c1-10(15)11-6-2-3-7-12(11)14-9-5-4-8-13(14)16/h2-9H,1H3 |
InChIKey | ZGWXCQWOLQMBSA-UHFFFAOYSA-N |
Molecular Weight | 213.236 g/mol |
SMILES | C1=CC=CC(=C1N1C=CC=CC1=O)C(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958289 |