SpectraBase Spectrum ID |
C6wkpZqWnJ4 |
Name |
Diethylmalonic acid, 2-methoxyphenyl undecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
420.287574383 u |
Formula |
C25H40O5 |
InChI |
InChI=1S/C25H40O5/c1-5-8-9-10-11-12-13-14-17-20-29-23(26)25(6-2,7-3)24(27)30-22-19-16-15-18-21(22)28-4/h15-16,18-19H,5-14,17,20H2,1-4H3 |
InChIKey |
GXWLBYUTPZDQIZ-UHFFFAOYSA-N |
Molecular Weight |
420.590 g/mol |
SMILES |
CCC(C(OCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)OC)=O)CC |