| SpectraBase Spectrum ID |
94OMDmZtnqU |
| Name |
Diethylmalonic acid, butyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.308309828 u |
| Formula |
C22H42O4 |
| InChI |
InChI=1S/C22H42O4/c1-5-9-11-12-13-14-15-16-17-19-26-21(24)22(7-3,8-4)20(23)25-18-10-6-2/h5-19H2,1-4H3 |
| InChIKey |
PSAFXJXKGYZKMQ-UHFFFAOYSA-N |
| Molecular Weight |
370.574 g/mol |
| SMILES |
CCC(C(OCCCC)=O)(C(OCCCCCCCCCCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874985 |
