SpectraBase Spectrum ID |
2rKNXR2cz5u |
Name |
6-Chloro-3-(2-chloroethyl)-1,2-dihydro-2-oxoquinoline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
241.006119313 u |
Formula |
C11H9Cl2NO |
InChI |
InChI=1S/C11H9Cl2NO/c12-4-3-7-5-8-6-9(13)1-2-10(8)14-11(7)15/h1-2,5-6H,3-4H2,(H,14,15) |
InChIKey |
DQGXJDMEPGHYEF-UHFFFAOYSA-N |
Molecular Weight |
242.105 g/mol |
SMILES |
C12=C(C=CC(=C2)Cl)NC(C(=C1)CCCl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958586 |