| SpectraBase Spectrum ID |
DICluR4bkPF |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-methoxyethyl octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.397124834 u |
| Formula |
C29H54O5 |
| InChI |
InChI=1S/C29H54O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-33-28(30)26-21-18-19-22-27(26)29(31)34-25-24-32-2/h26-27H,3-25H2,1-2H3 |
| InChIKey |
PCCYWPXTIMBIKC-UHFFFAOYSA-N |
| Molecular Weight |
482.746 g/mol |
| SMILES |
C1CC(C(CC1)C(=O)OCCOC)C(OCCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948068 |
