| SpectraBase Spectrum ID |
32COxlnJKss |
| Name |
Diethylmalonic acid, decyl 4-methylcyclohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.323959893 u |
| Formula |
C24H44O4 |
| InChI |
InChI=1S/C24H44O4/c1-5-8-9-10-11-12-13-14-19-27-22(25)24(6-2,7-3)23(26)28-21-17-15-20(4)16-18-21/h20-21H,5-19H2,1-4H3 |
| InChIKey |
AYWQDMRLOQVWCY-UHFFFAOYSA-N |
| Molecular Weight |
396.612 g/mol |
| SMILES |
C(COC(=O)C(C(OC1CCC(C)CC1)=O)(CC)CC)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914474 |
