SpectraBase Spectrum ID |
KAnAHTYY0UU |
Name |
Benzenepropanamide, N-[(1,2-dihydro-2-oxo-3-quinolinyl)methyl]-N-ethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
334.168127954 u |
Formula |
C21H22N2O2 |
InChI |
InChI=1S/C21H22N2O2/c1-2-23(20(24)13-12-16-8-4-3-5-9-16)15-18-14-17-10-6-7-11-19(17)22-21(18)25/h3-11,14H,2,12-13,15H2,1H3,(H,22,25) |
InChIKey |
XLRUNHARJUVVIE-UHFFFAOYSA-N |
Molecular Weight |
334.419 g/mol |
SMILES |
C=1(CN(CC)C(=O)CCC=2C=CC=CC2)C(=O)NC=2C(C1)=CC=CC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963969 |