SpectraBase Spectrum ID |
AIqNhpL8AAM |
Name |
o-Chlorophenylsuccinic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
228.018936466 u |
Formula |
C10H9ClO4 |
InChI |
InChI=1S/C10H9ClO4/c11-8-4-2-1-3-6(8)7(10(14)15)5-9(12)13/h1-4,7H,5H2,(H,12,13)(H,14,15) |
InChIKey |
JKZMBINIIFRDHY-UHFFFAOYSA-N |
Molecular Weight |
228.631 g/mol |
SMILES |
C1=C(C(=CC=C1)Cl)C(CC(=O)O)C(O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969652 |