| SpectraBase Spectrum ID |
LVDIeFCSqqc |
| Name |
Acetoxyacetic acid, 3,4-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.979964134 u |
| Formula |
C10H8Cl2O4 |
| InChI |
InChI=1S/C10H8Cl2O4/c1-6(13)15-5-10(14)16-7-2-3-8(11)9(12)4-7/h2-4H,5H2,1H3 |
| InChIKey |
ISETXWLPWNBHGV-UHFFFAOYSA-N |
| Molecular Weight |
263.076 g/mol |
| SMILES |
CC(OCC(OC1=CC(=C(C=C1)Cl)Cl)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887146 |
