| SpectraBase Spectrum ID |
70DynQShHAn |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-adamantyl heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.292659764 u |
| Formula |
C25H40O4 |
| InChI |
InChI=1S/C25H40O4/c1-2-3-4-5-8-11-28-24(26)21-9-6-7-10-22(21)25(27)29-23-19-13-17-12-18(15-19)16-20(23)14-17/h17-23H,2-16H2,1H3/t17-,18+,19-,20+,21?,22?,23? |
| InChIKey |
PRINMDXCNOUEAK-AUEUTWIESA-N |
| Molecular Weight |
404.591 g/mol |
| SMILES |
CCCCCCCOC(C1C(C(=O)OC2[C@]3(C[C@]4(C[C@@]2(C[C@@](C3)(C4)[H])[H])[H])[H])CCCC1)=O |
