SpectraBase Spectrum ID |
67YekkUawdj |
Name |
Diethylmalonic acid, dodecyl 5-methyl-2-methoxyphenyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
448.318874512 u |
Formula |
C27H44O5 |
InChI |
InChI=1S/C27H44O5/c1-6-9-10-11-12-13-14-15-16-17-20-31-25(28)27(7-2,8-3)26(29)32-24-21-22(4)18-19-23(24)30-5/h18-19,21H,6-17,20H2,1-5H3 |
InChIKey |
ZKKQHGXGDJSEFH-UHFFFAOYSA-N |
Molecular Weight |
448.644 g/mol |
SMILES |
C(C(C(OCCCCCCCCCCCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O |