| SpectraBase Spectrum ID |
Bd4Z8ChMS0m |
| Name |
Diethylmalonic acid, 4-methylcyclohexyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.339609957 u |
| Formula |
C25H46O4 |
| InChI |
InChI=1S/C25H46O4/c1-5-8-9-10-11-12-13-14-15-20-28-23(26)25(6-2,7-3)24(27)29-22-18-16-21(4)17-19-22/h21-22H,5-20H2,1-4H3 |
| InChIKey |
JUELERHTUQLZCW-UHFFFAOYSA-N |
| Molecular Weight |
410.639 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCC)=O)(CC)CC)(OC1CCC(C)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878015 |
