SpectraBase Spectrum ID |
4ARe6OQAPPr |
Name |
Dichlorphen, o,o'-dimethacryloyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
404.058214456 u |
Formula |
C21H18Cl2O4 |
InChI |
InChI=1S/C21H18Cl2O4/c1-12(2)20(24)26-18-7-5-16(22)10-14(18)9-15-11-17(23)6-8-19(15)27-21(25)13(3)4/h5-8,10-11H,1,3,9H2,2,4H3 |
InChIKey |
NWSQOAONRANLNH-UHFFFAOYSA-N |
Molecular Weight |
405.277 g/mol |
SMILES |
C1=C(C=C(C(=C1)OC(C(=C)C)=O)CC1=C(OC(C(=C)C)=O)C=CC(=C1)Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941845 |