| SpectraBase Spectrum ID |
DlC8w3O2ikX |
| Name |
Diethylmalonic acid, di(2-(3,3-dimethyl-2,4-oxacyclopentyl)ethyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.241018111 u |
| Formula |
C21H36O8 |
| InChI |
InChI=1S/C21H36O8/c1-7-21(8-2,17(22)24-11-9-15-13-26-19(3,4)28-15)18(23)25-12-10-16-14-27-20(5,6)29-16/h15-16H,7-14H2,1-6H3 |
| InChIKey |
IYKBQWFRUJKQLI-UHFFFAOYSA-N |
| Molecular Weight |
416.511 g/mol |
| SMILES |
CCC(C(OCCC1COC(O1)(C)C)=O)(C(OCCC1OC(C)(C)OC1)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928832 |
