![2-{3-[2-(2-Hydroxy-2-adamantyl)ethyl]but-3-enyl}adamantan-2-ol](/api/spectrum/ne9S2UWnDM/structure.png?h=300&w=458 "2-{3-[2-(2-Hydroxy-2-adamantyl)ethyl]but-3-enyl}adamantan-2-ol")
| SpectraBase Compound ID | 6iSW02uFDFa |
|---|---|
| InChI | InChI=1S/C26H40O2/c1-16(2-4-25(27)21-8-17-6-18(10-21)11-22(25)9-17)3-5-26(28)23-12-19-7-20(14-23)15-24(26)13-19/h17-24,27-28H,1-15H2/t17-,18+,19-,20+,21-,22+,23-,24+,25?,26? |
| InChIKey | IHMJOMNICKGSMF-BFFSQJHKSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C26H40O2 |
| Exact Mass | 384.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ne9S2UWnDM |
|---|---|
| Name | 2-{3-[2-(2-Hydroxy-2-adamantyl)ethyl]but-3-enyl}adamantan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.302830526 u |
| Formula | C26H40O2 |
| InChI | InChI=1S/C26H40O2/c1-16(2-4-25(27)21-8-17-6-18(10-21)11-22(25)9-17)3-5-26(28)23-12-19-7-20(14-23)15-24(26)13-19/h17-24,27-28H,1-15H2/t17-,18+,19-,20+,21-,22+,23-,24+,25?,26? |
| InChIKey | IHMJOMNICKGSMF-BFFSQJHKSA-N |
| Molecular Weight | 384.604 g/mol |
| SMILES | [C@]12(C([C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])(O)CCC(=C)CCC1([C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])O)[H] |