![3,4,5-TRIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZOIC-ACID](/api/spectrum/FoZhtEuGsVw/structure.png?h=300&w=458 "3,4,5-TRIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZOIC-ACID")
| SpectraBase Compound ID | JzBUmrwwP1N |
|---|---|
| InChI | InChI=1S/C61H96O17/c62-58(63)54-34-55(73-19-13-67-7-1-64-4-10-70-16-22-76-59-36-45-25-46(37-59)27-47(26-45)38-59)57(75-21-15-69-9-3-66-6-12-72-18-24-78-61-42-51-31-52(43-61)33-53(32-51)44-61)56(35-54)74-20-14-68-8-2-65-5-11-71-17-23-77-60-39-48-28-49(40-60)30-50(29-48)41-60/h34-35,45-53H,1-33,36-44H2,(H,62,63)/t45-,46+,47-,48-,49+,50-,51-,52+,53-,59-,60-,61- |
| InChIKey | CPGWPAXKCLCOJB-ISVPZBMHSA-N |
| Mol Weight | 1101.4 g/mol |
| Molecular Formula | C61H96O17 |
| Exact Mass | 1100.664752 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FoZhtEuGsVw |
|---|---|
| Name | 3,4,5-TRIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZOIC-ACID |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H96O17 |
| InChI | InChI=1S/C61H96O17/c62-58(63)54-34-55(73-19-13-67-7-1-64-4-10-70-16-22-76-59-36-45-25-46(37-59)27-47(26-45)38-59)57(75-21-15-69-9-3-66-6-12-72-18-24-78-61-42-51-31-52(43-61)33-53(32-51)44-61)56(35-54)74-20-14-68-8-2-65-5-11-71-17-23-77-60-39-48-28-49(40-60)30-50(29-48)41-60/h34-35,45-53H,1-33,36-44H2,(H,62,63)/t45-,46+,47-,48-,49+,50-,51-,52+,53-,59-,60-,61- |
| InChIKey | CPGWPAXKCLCOJB-ISVPZBMHSA-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 | 1101.423 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11230 |