| SpectraBase Spectrum ID |
Bwrsl7UMkU5 |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-ethylhexyl hexyl 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/c1-4-7-9-12-16-25-21(23)19-14-10-11-15-20(19)22(24)26-17-18(6-3)13-8-5-2/h18-20H,4-17H2,1-3H3 |
| InChIKey |
PHFGUHRQLGYULN-UHFFFAOYSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
CCCCCCOC(C1C(C(=O)OCC(CCCC)CC)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97924 |
