| SpectraBase Spectrum ID |
Fxk7UQfRZTQ |
| Name |
Diethylmalonic acid, isobutyl isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.183109313 u |
| Formula |
C14H26O4 |
| InChI |
InChI=1S/C14H26O4/c1-7-14(8-2,13(16)18-11(5)6)12(15)17-9-10(3)4/h10-11H,7-9H2,1-6H3 |
| InChIKey |
SKNOKACUEWPNDU-UHFFFAOYSA-N |
| Molecular Weight |
258.358 g/mol |
| SMILES |
CCC(C(OCC(C)C)=O)(C(OC(C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985281 |
