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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

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ktooe1GAvFX
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
Solvent CDCl3
Source File Reference UWIR11238