| SpectraBase Spectrum ID |
DFmpbZM7YQF |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-adamantyl hexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.277009700 u |
| Formula |
C24H38O4 |
| InChI |
InChI=1S/C24H38O4/c1-2-3-4-7-10-27-23(25)20-8-5-6-9-21(20)24(26)28-22-18-12-16-11-17(14-18)15-19(22)13-16/h16-22H,2-15H2,1H3/t16-,17+,18-,19+,20?,21?,22? |
| InChIKey |
JEMKTABHBQKBBH-AJZJALDKSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
CCCCCCOC(C1C(C(=O)OC2[C@]3(C[C@]4(C[C@@]2(C[C@@](C3)(C4)[H])[H])[H])[H])CCCC1)=O |
