| SpectraBase Spectrum ID |
5uh3jz8b7AP |
| Name |
Adipic acid, 2-ethylhexyl isohexyl 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/c1-5-7-12-18(6-2)16-24-20(22)14-9-8-13-19(21)23-15-10-11-17(3)4/h17-18H,5-16H2,1-4H3 |
| InChIKey |
NUMRJSHZMZIOGS-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCC(=O)OCC(CCCC)CC)CC(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865462 |
