SpectraBase Spectrum ID |
7IlDTLjAgNW |
Name |
4-(3-Chloro-phenyl)-1,3,4,6,7,8-hexahydro-cyclopenta[G]quinolin-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
297.092041838 u |
Formula |
C18H16ClNO |
InChI |
InChI=1S/C18H16ClNO/c19-14-6-2-5-13(7-14)15-10-18(21)20-17-9-12-4-1-3-11(12)8-16(15)17/h2,5-9,15H,1,3-4,10H2,(H,20,21) |
InChIKey |
IYRBMNSXGNPBSQ-UHFFFAOYSA-N |
SMILES |
C12=C(NC(=O)CC2C2=CC(Cl)=CC=C2)C=C2CCCC2=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907148 |