| SpectraBase Spectrum ID |
3Fbo0KLTLa5 |
| Name |
3-Benzoyl-1-methylquinolin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.094628661 u |
| Formula |
C17H13NO2 |
| InChI |
InChI=1S/C17H13NO2/c1-18-11-14(16(19)12-7-3-2-4-8-12)17(20)13-9-5-6-10-15(13)18/h2-11H,1H3 |
| InChIKey |
KRTFGTWWTDHDJM-UHFFFAOYSA-N |
| Molecular Weight |
263.296 g/mol |
| SMILES |
C=1(C(C=2C=CC=CC2N(C1)C)=O)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948276 |
