| SpectraBase Spectrum ID |
2z9FsT9fLvN |
| Name |
Diethylmalonic acid, butyl 3,7-dimethyloctyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-7-10-15-24-19(22)21(8-2,9-3)20(23)25-16-14-18(6)13-11-12-17(4)5/h17-18H,7-16H2,1-6H3 |
| InChIKey |
SSPQCMVSDAQOKH-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
CCC(C(OCCCC)=O)(C(OCCC(CCCC(C)C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93111 |
