| SpectraBase Spectrum ID |
6pLdNxblzQh |
| Name |
Glutaric acid, hept-2-yl 2-ethylhexyl 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/c1-5-8-10-12-17(4)24-20(22)15-11-14-19(21)23-16-18(7-3)13-9-6-2/h17-18H,5-16H2,1-4H3 |
| InChIKey |
HFDYIHVLZLRRIL-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCC(OC(C)CCCCC)=O)C(OCC(CC)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972377 |
