![3,5-BIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZOIC-ACID](/api/spectrum/IwLsVpc5IzC/structure.png?h=300&w=458 "3,5-BIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZOIC-ACID")
| SpectraBase Compound ID | Hat2ag96XXO |
|---|---|
| InChI | InChI=1S/C43H66O12/c44-41(45)38-23-39(52-13-9-48-5-1-46-3-7-50-11-15-54-42-26-32-17-33(27-42)19-34(18-32)28-42)25-40(24-38)53-14-10-49-6-2-47-4-8-51-12-16-55-43-29-35-20-36(30-43)22-37(21-35)31-43/h23-25,32-37H,1-22,26-31H2,(H,44,45)/t32-,33+,34-,35-,36+,37-,42-,43- |
| InChIKey | APYVJFRARXQESO-LTHABKCNSA-N |
| Mol Weight | 775.0 g/mol |
| Molecular Formula | C43H66O12 |
| Exact Mass | 774.455428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IwLsVpc5IzC |
|---|---|
| Name | 3,5-BIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZOIC-ACID |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H66O12 |
| InChI | InChI=1S/C43H66O12/c44-41(45)38-23-39(52-13-9-48-5-1-46-3-7-50-11-15-54-42-26-32-17-33(27-42)19-34(18-32)28-42)25-40(24-38)53-14-10-49-6-2-47-4-8-51-12-16-55-43-29-35-20-36(30-43)22-37(21-35)31-43/h23-25,32-37H,1-22,26-31H2,(H,44,45)/t32-,33+,34-,35-,36+,37-,42-,43- |
| InChIKey | APYVJFRARXQESO-LTHABKCNSA-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 | 774.990 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11231 |