| SpectraBase Spectrum ID |
J3vQr6w87pK |
| Name |
Diethylmalonic acid, dodecyl 3-methylphenyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.308309828 u |
| Formula |
C26H42O4 |
| InChI |
InChI=1S/C26H42O4/c1-5-8-9-10-11-12-13-14-15-16-20-29-24(27)26(6-2,7-3)25(28)30-23-19-17-18-22(4)21-23/h17-19,21H,5-16,20H2,1-4H3 |
| InChIKey |
HXRLQDURAGKEHQ-UHFFFAOYSA-N |
| Molecular Weight |
418.618 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCC)=O)(C(OC1=CC(=CC=C1)C)=O)CC |
