| SpectraBase Spectrum ID |
L8QZD5S12wC |
| Name |
Dimethylmalonic acid, 4-acetylphenyl tridecyl 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/c1-5-6-7-8-9-10-11-12-13-14-15-20-30-24(28)26(3,4)25(29)31-23-18-16-22(17-19-23)21(2)27/h16-19H,5-15,20H2,1-4H3 |
| InChIKey |
NUQIMPDVRJHXBT-UHFFFAOYSA-N |
| Molecular Weight |
432.601 g/mol |
| SMILES |
CC(C1=CC=C(C=C1)OC(C(C(OCCCCCCCCCCCCC)=O)(C)C)=O)=O |
