| SpectraBase Spectrum ID |
5n2QhnENHhS |
| Name |
2,6-Dichloro-4-methylphenol, o-ethoxycarbonyl- |
| 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/c1-3-14-10(13)15-9-7(11)4-6(2)5-8(9)12/h4-5H,3H2,1-2H3 |
| InChIKey |
SZUCLJLBGRJQQT-UHFFFAOYSA-N |
| Molecular Weight |
249.093 g/mol |
| SMILES |
C1(OC(OCC)=O)=C(Cl)C=C(C=C1Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873393 |
