SpectraBase Spectrum ID |
KVEvcOsw26k |
Name |
2-Propenoic acid, 2-chloro-3-(2,6-dichlorophenyl)-, ethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
277.966812628 u |
Formula |
C11H9Cl3O2 |
InChI |
InChI=1S/C11H9Cl3O2/c1-2-16-11(15)10(14)6-7-8(12)4-3-5-9(7)13/h3-6H,2H2,1H3/b10-6- |
InChIKey |
AEKXCHWFILSRDP-POHAHGRESA-N |
SMILES |
C1=CC=C(C(=C1Cl)\C=C\(C(OCC)=O)Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849451 |