| SpectraBase Spectrum ID |
1mmhNShOhzb |
| Name |
1,2-Cyclohexanedicarboxylic 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 |
368.292659764 u |
| Formula |
C22H40O4 |
| InChI |
InChI=1S/C22H40O4/c1-5-7-12-18(6-2)16-26-22(24)20-14-9-8-13-19(20)21(23)25-15-10-11-17(3)4/h17-20H,5-16H2,1-4H3 |
| InChIKey |
OFGLITCCQNCLEI-UHFFFAOYSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
CC(C)CCCOC(C1C(C(=O)OCC(CCCC)CC)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851475 |
