SpectraBase Spectrum ID |
EAuOQFemBzg |
Name |
2(1H)-Quinolinone, 6-(3-chloro-1-oxopropyl)-3,4-dihydro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
237.055656328 u |
Formula |
C12H12ClNO2 |
InChI |
InChI=1S/C12H12ClNO2/c13-6-5-11(15)9-1-3-10-8(7-9)2-4-12(16)14-10/h1,3,7H,2,4-6H2,(H,14,16) |
InChIKey |
DASDAZFBTSMFRH-UHFFFAOYSA-N |
Molecular Weight |
237.686 g/mol |
SMILES |
N1C(CCC=2C=C(C=CC12)C(CCCl)=O)=O |
Spectrum/Structure Validation Score (Raman) |
0.976951 |