| SpectraBase Spectrum ID |
4GDq1aSTTHo |
| Name |
Adipic acid, di(5-methoxy-3-methylpentyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.266838938 u |
| Formula |
C20H38O6 |
| InChI |
InChI=1S/C20H38O6/c1-17(9-13-23-3)11-15-25-19(21)7-5-6-8-20(22)26-16-12-18(2)10-14-24-4/h17-18H,5-16H2,1-4H3 |
| InChIKey |
QEGJPQAQBAFJJU-UHFFFAOYSA-N |
| Molecular Weight |
374.518 g/mol |
| SMILES |
C(CCCCC(=O)OCCC(CCOC)C)(OCCC(C)CCOC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987864 |
