SpectraBase Spectrum ID |
AI6g772tLKu |
Name |
2,5,7-Trimethyl-4(1H)-quinolinone, N-acetyl |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
229.110278725 u |
Formula |
C14H15NO2 |
InChI |
InChI=1S/C14H15NO2/c1-8-5-9(2)14-12(6-8)15(11(4)16)10(3)7-13(14)17/h5-7H,1-4H3 |
InChIKey |
BDXQNFJATFSPAL-UHFFFAOYSA-N |
Molecular Weight |
229.279 g/mol |
SMILES |
C=1(N(C2=C(C(C1)=O)C(=CC(=C2)C)C)C(=O)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813154 |