| SpectraBase Spectrum ID |
8ByxR7DnDTh |
| Name |
1,2-Cyclohexanedicarboxylic acid, octyl 4-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.323959893 u |
| Formula |
C24H44O4 |
| InChI |
InChI=1S/C24H44O4/c1-4-7-9-10-11-14-19-27-23(25)21-17-12-13-18-22(21)24(26)28-20(15-6-3)16-8-5-2/h20-22H,4-19H2,1-3H3 |
| InChIKey |
NWPKYGLYRJMOBF-UHFFFAOYSA-N |
| Molecular Weight |
396.612 g/mol |
| SMILES |
CCCCCCCCOC(C1C(C(=O)OC(CCCC)CCC)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975359 |
