| SpectraBase Spectrum ID |
8zOnnM99xO8 |
| Name |
Glutaric acid, di(2-propylpentyl) 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/c1-5-10-18(11-6-2)16-24-20(22)14-9-15-21(23)25-17-19(12-7-3)13-8-4/h18-19H,5-17H2,1-4H3 |
| InChIKey |
KCVNBRDWPJHGDJ-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(OCC(CCC)CCC)(=O)CCCC(OCC(CCC)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988849 |
