| SpectraBase Spectrum ID |
BmF78F70bJS |
| Name |
Glutaric acid, 2-ethylhexyl 3,7-dimethyloctyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.323959893 u |
| Formula |
C23H44O4 |
| InChI |
InChI=1S/C23H44O4/c1-6-8-13-21(7-2)18-27-23(25)15-10-14-22(24)26-17-16-20(5)12-9-11-19(3)4/h19-21H,6-18H2,1-5H3 |
| InChIKey |
QLFUXOANKYTXNO-UHFFFAOYSA-N |
| Molecular Weight |
384.601 g/mol |
| SMILES |
C(CCC(OCC(CC)CCCC)=O)C(OCCC(CCCC(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980088 |
