| SpectraBase Spectrum ID |
IocdXcvvXfE |
| Name |
Diethylmalonic acid, dodecyl 3-methylbenzyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.323959893 u |
| Formula |
C27H44O4 |
| InChI |
InChI=1S/C27H44O4/c1-5-8-9-10-11-12-13-14-15-16-20-30-25(28)27(6-2,7-3)26(29)31-22-24-19-17-18-23(4)21-24/h17-19,21H,5-16,20,22H2,1-4H3 |
| InChIKey |
VRMHROITHIAZHK-UHFFFAOYSA-N |
| Molecular Weight |
432.645 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCC)=O)(C(OCC1=CC(=CC=C1)C)=O)CC |
