SpectraBase Spectrum ID |
qzIitwFhao |
Name |
Diethylmalonic acid, 2-chlorophenyl octadecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
522.347587818 u |
Formula |
C31H51ClO4 |
InChI |
InChI=1S/C31H51ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-29(33)31(5-2,6-3)30(34)36-28-25-22-21-24-27(28)32/h21-22,24-25H,4-20,23,26H2,1-3H3 |
InChIKey |
ZQRPUCLRIFRTRS-UHFFFAOYSA-N |
Molecular Weight |
523.198 g/mol |
SMILES |
CCC(C(OCCCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)Cl)=O)CC |