SpectraBase Spectrum ID |
4cQTEsHY2fh |
Name |
Diethylmalonic acid, 2,5-dichlorophenyl dodecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
472.214715100 u |
Formula |
C25H38Cl2O4 |
InChI |
InChI=1S/C25H38Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-18-30-23(28)25(5-2,6-3)24(29)31-22-19-20(26)16-17-21(22)27/h16-17,19H,4-15,18H2,1-3H3 |
InChIKey |
RNAYVPNRBDHCIS-UHFFFAOYSA-N |
Molecular Weight |
473.481 g/mol |
SMILES |
C(C(C(OCCCCCCCCCCCC)=O)(C(OC1=C(C=CC(=C1)Cl)Cl)=O)CC)C |