SpectraBase Spectrum ID |
7fUdLEO5466 |
Name |
2-Chloro-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
209.060741709 u |
Formula |
C11H12ClNO |
InChI |
InChI=1S/C11H12ClNO/c12-8-11(14)13-7-3-5-9-4-1-2-6-10(9)13/h1-2,4,6H,3,5,7-8H2 |
InChIKey |
CTCLPENRFAHENT-UHFFFAOYSA-N |
Molecular Weight |
209.676 g/mol |
SMILES |
C(CCl)(=O)N1CCCC2=C1C=CC=C2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877035 |