![3,5-BIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZOIC-ACID-METHYLESTER](/api/spectrum/JJKHspUJt9C/structure.png?h=300&w=458 "3,5-BIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZOIC-ACID-METHYLESTER")
| SpectraBase Compound ID | HQqEEoKGQIt |
|---|---|
| InChI | InChI=1S/C44H68O12/c1-46-42(45)39-24-40(53-14-10-49-6-2-47-4-8-51-12-16-55-43-27-33-18-34(28-43)20-35(19-33)29-43)26-41(25-39)54-15-11-50-7-3-48-5-9-52-13-17-56-44-30-36-21-37(31-44)23-38(22-36)32-44/h24-26,33-38H,2-23,27-32H2,1H3/t33-,34+,35-,36-,37+,38-,43-,44- |
| InChIKey | DTGDBFOCSNDKJP-PMEULTIDSA-N |
| Mol Weight | 789.0 g/mol |
| Molecular Formula | C44H68O12 |
| Exact Mass | 788.471078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JJKHspUJt9C |
|---|---|
| Name | 3,5-BIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZOIC-ACID-METHYLESTER |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H68O12 |
| InChI | InChI=1S/C44H68O12/c1-46-42(45)39-24-40(53-14-10-49-6-2-47-4-8-51-12-16-55-43-27-33-18-34(28-43)20-35(19-33)29-43)26-41(25-39)54-15-11-50-7-3-48-5-9-52-13-17-56-44-30-36-21-37(31-44)23-38(22-36)32-44/h24-26,33-38H,2-23,27-32H2,1H3/t33-,34+,35-,36-,37+,38-,43-,44- |
| InChIKey | DTGDBFOCSNDKJP-PMEULTIDSA-N |
| Literature Reference Author | U.KAUSCHER,B.J.RAVOO |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,1543(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.175 |
| Molecular Weight | 789.017 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11229 |