| SpectraBase Spectrum ID |
IfwUr2HhE3b |
| Name |
Diethylmalonic acid, 4-acetylphenyl undecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.287574383 u |
| Formula |
C26H40O5 |
| InChI |
InChI=1S/C26H40O5/c1-5-8-9-10-11-12-13-14-15-20-30-24(28)26(6-2,7-3)25(29)31-23-18-16-22(17-19-23)21(4)27/h16-19H,5-15,20H2,1-4H3 |
| InChIKey |
DMGGTDFVOJUDLN-UHFFFAOYSA-N |
| Molecular Weight |
432.601 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCC)=O)(C(OC1=CC=C(C=C1)C(C)=O)=O)CC |
