| SpectraBase Spectrum ID |
JUyEHeXv3ds |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-adamantyl butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.245709571 u |
| Formula |
C22H34O4 |
| InChI |
InChI=1S/C22H34O4/c1-2-3-8-25-21(23)18-6-4-5-7-19(18)22(24)26-20-16-10-14-9-15(12-16)13-17(20)11-14/h14-20H,2-13H2,1H3/t14-,15+,16-,17+,18?,19?,20? |
| InChIKey |
RBQIYDCEYQKHFC-HNCYXZKNSA-N |
| Molecular Weight |
362.510 g/mol |
| SMILES |
C1([C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])OC(C1CCCCC1C(OCCCC)=O)=O |
