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4''-[TRIS-[4-(4'-METHOXYPHENYLETHYNYL)-PHENYL]-METHYL]-PHENYLTRIFLUOROMETHANESULFONATE
SpectraBase Compound ID GXf3mV4JB5N
InChI InChI=1S/C53H37F3O6S/c1-59-48-30-16-41(17-31-48)7-4-38-10-22-44(23-11-38)52(47-28-36-51(37-29-47)62-63(57,58)53(54,55)56,45-24-12-39(13-25-45)5-8-42-18-32-49(60-2)33-19-42)46-26-14-40(15-27-46)6-9-43-20-34-50(61-3)35-21-43/h10-37H,1-3H3
InChIKey KNINHWIFDGDENO-UHFFFAOYSA-N
Mol Weight 858.9 g/mol
Molecular Formula C53H37F3O6S
Exact Mass 858.226295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXYOREZlaF9
Name 4''-[TRIS-[4-(4'-METHOXYPHENYLETHYNYL)-PHENYL]-METHYL]-PHENYLTRIFLUOROMETHANESULFONATE
Compound Number 17-OTF
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H37F3O6S
InChI InChI=1S/C53H37F3O6S/c1-59-48-30-16-41(17-31-48)7-4-38-10-22-44(23-11-38)52(47-28-36-51(37-29-47)62-63(57,58)53(54,55)56,45-24-12-39(13-25-45)5-8-42-18-32-49(60-2)33-19-42)46-26-14-40(15-27-46)6-9-43-20-34-50(61-3)35-21-43/h10-37H,1-3H3
InChIKey KNINHWIFDGDENO-UHFFFAOYSA-N
Literature Reference Author O.PLIETZSCH,A.SCHADE,A.HAFNER,J.HUUSKONEN,K.RISSANEN,M.NIEGE R,T.MULLER,S.BRAESE
Literature Reference Citation EUR.J.ORG.CHEM.,2013,283(2013)
Literature Reference DOI 10.1002/ejoc.201201162
Molecular Weight 858.928 g/mol
Solvent CDCl3
Source File Reference UWBT17416