![3,5-BIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZOIC-ACID-PENTAFLUOROPHENYLESTER](/api/spectrum/IWVQz0U6Wly/structure.png?h=300&w=458 "3,5-BIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZOIC-ACID-PENTAFLUOROPHENYLESTER")
| SpectraBase Compound ID | 4CzMJ54l9hM |
|---|---|
| InChI | InChI=1S/C49H65F5O12/c50-41-42(51)44(53)46(45(54)43(41)52)66-47(55)38-23-39(62-13-9-58-5-1-56-3-7-60-11-15-64-48-26-32-17-33(27-48)19-34(18-32)28-48)25-40(24-38)63-14-10-59-6-2-57-4-8-61-12-16-65-49-29-35-20-36(30-49)22-37(21-35)31-49/h23-25,32-37H,1-22,26-31H2/t32-,33+,34-,35-,36+,37-,48-,49- |
| InChIKey | VOACKFPWWKZIQW-PTVVXGEZSA-N |
| Mol Weight | 941.0 g/mol |
| Molecular Formula | C49H65F5O12 |
| Exact Mass | 940.439618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IWVQz0U6Wly |
|---|---|
| Name | 3,5-BIS-[2-[2-[2-[2-(ADAMANTAN-1-YL-OXY)-ETHOXY]-ETHOXY]-ETHOXY]-ETHOXY]-BENZOIC-ACID-PENTAFLUOROPHENYLESTER |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H65F5O12 |
| InChI | InChI=1S/C49H65F5O12/c50-41-42(51)44(53)46(45(54)43(41)52)66-47(55)38-23-39(62-13-9-58-5-1-56-3-7-60-11-15-64-48-26-32-17-33(27-48)19-34(18-32)28-48)25-40(24-38)63-14-10-59-6-2-57-4-8-61-12-16-65-49-29-35-20-36(30-49)22-37(21-35)31-49/h23-25,32-37H,1-22,26-31H2/t32-,33+,34-,35-,36+,37-,48-,49- |
| InChIKey | VOACKFPWWKZIQW-PTVVXGEZSA-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 | 941.040 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11238 |