SpectraBase Spectrum ID |
F30PPeUVITn |
Name |
2,4-Dichlorophenol, o-isopropyloxycarbonyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
248.000699579 u |
Formula |
C10H10Cl2O3 |
InChI |
InChI=1S/C10H10Cl2O3/c1-6(2)14-10(13)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3 |
InChIKey |
ZLGOEQSDQDBGNW-UHFFFAOYSA-N |
Molecular Weight |
249.093 g/mol |
SMILES |
C1(=CC(=CC=C1OC(OC(C)C)=O)Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843407 |