SpectraBase Spectrum ID |
FMFs0FLT3PI |
Name |
Diethylmalonic acid, 2,3-dimethylphenyl tridecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
446.339609957 u |
Formula |
C28H46O4 |
InChI |
InChI=1S/C28H46O4/c1-6-9-10-11-12-13-14-15-16-17-18-22-31-26(29)28(7-2,8-3)27(30)32-25-21-19-20-23(4)24(25)5/h19-21H,6-18,22H2,1-5H3 |
InChIKey |
RYTWXOWMMFNORR-UHFFFAOYSA-N |
Molecular Weight |
446.672 g/mol |
SMILES |
CCC(C(OCCCCCCCCCCCCC)=O)(C(OC1=C(C(=CC=C1)C)C)=O)CC |