| SpectraBase Spectrum ID |
JdtgmX66trq |
| Name |
Diethylmalonic acid, 4-methylcyclohexyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.308309828 u |
| Formula |
C23H42O4 |
| InChI |
InChI=1S/C23H42O4/c1-5-8-9-10-11-12-13-18-26-21(24)23(6-2,7-3)22(25)27-20-16-14-19(4)15-17-20/h19-20H,5-18H2,1-4H3 |
| InChIKey |
NKZMRFYKODCUDD-UHFFFAOYSA-N |
| Molecular Weight |
382.585 g/mol |
| SMILES |
C(COC(=O)C(C(OC1CCC(C)CC1)=O)(CC)CC)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852629 |
