| SpectraBase Spectrum ID |
51seyRAERoa |
| Name |
Diethylmalonic acid, 2-ethylbutyl heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-6-11-12-13-14-15-23-18(21)20(9-4,10-5)19(22)24-16-17(7-2)8-3/h17H,6-16H2,1-5H3 |
| InChIKey |
MICTWKZIWJZACN-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
CCC(C(OCCCCCCC)=O)(C(OCC(CC)CC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807937 |
