| SpectraBase Spectrum ID |
4OG1E0LzcXy |
| Name |
Diethylmalonic acid, hexyl 4-methylcyclohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.261359635 u |
| Formula |
C20H36O4 |
| InChI |
InChI=1S/C20H36O4/c1-5-8-9-10-15-23-18(21)20(6-2,7-3)19(22)24-17-13-11-16(4)12-14-17/h16-17H,5-15H2,1-4H3 |
| InChIKey |
XRRHHWJJDZDSLP-UHFFFAOYSA-N |
| Molecular Weight |
340.504 g/mol |
| SMILES |
C(COC(=O)C(C(OC1CCC(C)CC1)=O)(CC)CC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846602 |
