| SpectraBase Spectrum ID |
1jjZzKWJUc2 |
| Name |
1,2-Cyclohexanedicarboxylic acid, 2-adamantyl undecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.355260022 u |
| Formula |
C29H48O4 |
| InChI |
InChI=1S/C29H48O4/c1-2-3-4-5-6-7-8-9-12-15-32-28(30)25-13-10-11-14-26(25)29(31)33-27-23-17-21-16-22(19-23)20-24(27)18-21/h21-27H,2-20H2,1H3/t21-,22+,23-,24+,25?,26?,27? |
| InChIKey |
VYMVOHWZEPGDKT-HOQIWRFJSA-N |
| Molecular Weight |
460.699 g/mol |
| SMILES |
CCCCCCCCCCCOC(C1C(C(=O)OC2[C@]3(C[C@]4(C[C@@]2(C[C@@](C3)(C4)[H])[H])[H])[H])CCCC1)=O |
