![3,4,5-TRIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZOIC-ACID-METHYLESTER](/api/spectrum/84FDrOHyxN0/structure.png?h=300&w=458 "3,4,5-TRIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZOIC-ACID-METHYLESTER")
| SpectraBase Compound ID | Jp2IZoR2F18 |
|---|---|
| InChI | InChI=1S/C62H98O17/c1-64-59(63)55-35-56(74-20-14-68-8-2-65-5-11-71-17-23-77-60-37-46-26-47(38-60)28-48(27-46)39-60)58(76-22-16-70-10-4-67-7-13-73-19-25-79-62-43-52-32-53(44-62)34-54(33-52)45-62)57(36-55)75-21-15-69-9-3-66-6-12-72-18-24-78-61-40-49-29-50(41-61)31-51(30-49)42-61/h35-36,46-54H,2-34,37-45H2,1H3/t46-,47+,48-,49-,50+,51-,52-,53+,54-,60-,61-,62- |
| InChIKey | DDKIWWXITZCQOS-MWJRJCCMSA-N |
| Mol Weight | 1115.4 g/mol |
| Molecular Formula | C62H98O17 |
| Exact Mass | 1114.680402 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 84FDrOHyxN0 |
|---|---|
| Name | 3,4,5-TRIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZOIC-ACID-METHYLESTER |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H98O17 |
| InChI | InChI=1S/C62H98O17/c1-64-59(63)55-35-56(74-20-14-68-8-2-65-5-11-71-17-23-77-60-37-46-26-47(38-60)28-48(27-46)39-60)58(76-22-16-70-10-4-67-7-13-73-19-25-79-62-43-52-32-53(44-62)34-54(33-52)45-62)57(36-55)75-21-15-69-9-3-66-6-12-72-18-24-78-61-40-49-29-50(41-61)31-51(30-49)42-61/h35-36,46-54H,2-34,37-45H2,1H3/t46-,47+,48-,49-,50+,51-,52-,53+,54-,60-,61-,62- |
| InChIKey | DDKIWWXITZCQOS-MWJRJCCMSA-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 | 1115.450 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11228 |