| SpectraBase Spectrum ID |
64CTM2e6L64 |
| Name |
Glutaric acid, isohexyl 3-(2-methoxyethyl)nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.318874512 u |
| Formula |
C23H44O5 |
| InChI |
InChI=1S/C23H44O5/c1-5-6-7-8-12-21(15-18-26-4)16-19-28-23(25)14-9-13-22(24)27-17-10-11-20(2)3/h20-21H,5-19H2,1-4H3 |
| InChIKey |
CVFIPJMFLMWMOP-UHFFFAOYSA-N |
| Molecular Weight |
400.600 g/mol |
| SMILES |
CC(C)CCCOC(CCCC(OCCC(CCOC)CCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916784 |
