| SpectraBase Spectrum ID |
E4D9BIYR9fx |
| Name |
Diethylmalonic acid, hept-4-yl octyl 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/c1-6-11-12-13-14-15-18-25-20(23)22(9-4,10-5)21(24)26-19(16-7-2)17-8-3/h19H,6-18H2,1-5H3 |
| InChIKey |
TZMSMJPMNUHEOX-UHFFFAOYSA-N |
| Molecular Weight |
370.574 g/mol |
| SMILES |
CCC(C(OCCCCCCCC)=O)(C(OC(CCC)CCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824362 |
