| SpectraBase Spectrum ID |
9ojT22N9HGX |
| Name |
Adipic acid, hexadecyl trans-2-methylcyclohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.402210215 u |
| Formula |
C29H54O4 |
| InChI |
InChI=1S/C29H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-32-28(30)23-18-19-24-29(31)33-27-22-17-16-21-26(27)2/h26-27H,3-25H2,1-2H3 |
| InChIKey |
FICMNIPKBLHNDT-UHFFFAOYSA-N |
| Molecular Weight |
466.747 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCOC(CCCCC(=O)OC1CCCCC1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814838 |
