SpectraBase Spectrum ID |
Ef4aLKFGTKh |
Name |
Diethylmalonic acid, octyl 3-phenoxybenzyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
454.271924319 u |
Formula |
C28H38O5 |
InChI |
InChI=1S/C28H38O5/c1-4-7-8-9-10-14-20-31-26(29)28(5-2,6-3)27(30)32-22-23-16-15-19-25(21-23)33-24-17-12-11-13-18-24/h11-13,15-19,21H,4-10,14,20,22H2,1-3H3 |
InChIKey |
NISSBEZXEKFNNE-UHFFFAOYSA-N |
Molecular Weight |
454.607 g/mol |
SMILES |
CCC(C(OCCCCCCCC)=O)(C(OCC1=CC=CC(=C1)OC1=CC=CC=C1)=O)CC |