| SpectraBase Spectrum ID |
9hBihKtev58 |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-adamantyl isohexyl 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/c1-15(2)6-5-9-27-23(25)20-7-3-4-8-21(20)24(26)28-22-18-11-16-10-17(13-18)14-19(22)12-16/h15-22H,3-14H2,1-2H3/t16-,17+,18-,19+,20?,21?,22? |
| InChIKey |
KLMDXGLBCAHOSU-AJZJALDKSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
CC(C)CCCOC(C1C(C(=O)OC2[C@]3(C[C@]4(C[C@@]2(C[C@@](C3)(C4)[H])[H])[H])[H])CCCC1)=O |
