| SpectraBase Spectrum ID |
D0qiYGQYOJb |
| Name |
Diethylmalonic acid, 4-methylcyclohexyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.214409442 u |
| Formula |
C17H30O4 |
| InChI |
InChI=1S/C17H30O4/c1-5-12-20-15(18)17(6-2,7-3)16(19)21-14-10-8-13(4)9-11-14/h13-14H,5-12H2,1-4H3 |
| InChIKey |
ZORXPUWRPOWNGJ-UHFFFAOYSA-N |
| SMILES |
C(C(C(OCCC)=O)(CC)CC)(OC1CCC(C)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877229 |
