SpectraBase Spectrum ID |
EvOP0iYK5Pw |
Name |
Glutaric acid, 2-(2-methoxyethyl)hexyl pentyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
344.256274254 u |
Formula |
C19H36O5 |
InChI |
InChI=1S/C19H36O5/c1-4-6-8-14-23-18(20)11-9-12-19(21)24-16-17(10-7-5-2)13-15-22-3/h17H,4-16H2,1-3H3 |
InChIKey |
PUADRMIPVSEPNC-UHFFFAOYSA-N |
Molecular Weight |
344.492 g/mol |
SMILES |
CCCCCOC(CCCC(OCC(CCCC)CCOC)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86242 |