SpectraBase Spectrum ID |
6Tww6czYJw3 |
Name |
1-(2-Acetylphenyl)-5-chloro-1H-pyridin-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
247.040006264 u |
Formula |
C13H10ClNO2 |
InChI |
InChI=1S/C13H10ClNO2/c1-9(16)11-4-2-3-5-12(11)15-8-10(14)6-7-13(15)17/h2-8H,1H3 |
InChIKey |
JPBMWMHGLWCCFX-UHFFFAOYSA-N |
Molecular Weight |
247.681 g/mol |
SMILES |
C1=CC=CC(=C1N1C=C(C=CC1=O)Cl)C(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95996 |