| SpectraBase Spectrum ID |
95QTZbLE7GV |
| Name |
Glutaric acid, 2-ethylhexyl 3-methyl-5-methoxypentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.271924319 u |
| Formula |
C20H38O5 |
| InChI |
InChI=1S/C20H38O5/c1-5-7-9-18(6-2)16-25-20(22)11-8-10-19(21)24-15-13-17(3)12-14-23-4/h17-18H,5-16H2,1-4H3 |
| InChIKey |
WWHCWGQCIFJIER-UHFFFAOYSA-N |
| Molecular Weight |
358.519 g/mol |
| SMILES |
C(CCC(OCC(CC)CCCC)=O)C(OCCC(C)CCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808764 |
