| SpectraBase Spectrum ID |
IqRTPTbvBiS |
| Name |
Glutaric acid, 6-ethyloct-3-yl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-5-9-10-16-23-19(21)12-11-13-20(22)24-18(8-4)15-14-17(6-2)7-3/h17-18H,5-16H2,1-4H3 |
| InChIKey |
UHNJULXMWQVNAU-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
CCC(OC(=O)CCCC(OCCCCC)=O)CCC(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900387 |
