| SpectraBase Spectrum ID |
GNKBoMmaPSP |
| Name |
Diethylmalonic acid, ethyl 4-methylcyclohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.198759378 u |
| Formula |
C16H28O4 |
| InChI |
InChI=1S/C16H28O4/c1-5-16(6-2,14(17)19-7-3)15(18)20-13-10-8-12(4)9-11-13/h12-13H,5-11H2,1-4H3 |
| InChIKey |
GPTBJJCTGBRSPS-UHFFFAOYSA-N |
| SMILES |
C1C(CCC(C1)C)OC(C(CC)(C(OCC)=O)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982888 |
