| SpectraBase Spectrum ID |
D4kImvbTud0 |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-methylpent-3-yl octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
508.449160408 u |
| Formula |
C32H60O4 |
| InChI |
InChI=1S/C32H60O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-31(33)28-24-21-22-25-29(28)32(34)36-30(6-2)27(3)4/h27-30H,5-26H2,1-4H3 |
| InChIKey |
DZCLNEKLTHOLGB-UHFFFAOYSA-N |
| Molecular Weight |
508.828 g/mol |
| SMILES |
C(C1CCCCC1C(OCCCCCCCCCCCCCCCCCC)=O)(=O)OC(C(C)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935557 |
