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4''-[TRIS-[4-(4'-METHOXYPHENYLETHYNYL)-PHENYL]-METHYL]-PHENYLACETYLENE
SpectraBase Compound ID KYMAUEfoRsd
InChI InChI=1S/C54H38O3/c1-5-40-12-26-47(27-13-40)54(48-28-14-41(15-29-48)6-9-44-20-34-51(55-2)35-21-44,49-30-16-42(17-31-49)7-10-45-22-36-52(56-3)37-23-45)50-32-18-43(19-33-50)8-11-46-24-38-53(57-4)39-25-46/h1,12-39H,2-4H3
InChIKey RLBVILSQJZSVMQ-UHFFFAOYSA-N
Mol Weight 734.9 g/mol
Molecular Formula C54H38O3
Exact Mass 734.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYszrfPeSvV
Name 4''-[TRIS-[4-(4'-METHOXYPHENYLETHYNYL)-PHENYL]-METHYL]-PHENYLACETYLENE
Compound Number 17-CCH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H38O3
InChI InChI=1S/C54H38O3/c1-5-40-12-26-47(27-13-40)54(48-28-14-41(15-29-48)6-9-44-20-34-51(55-2)35-21-44,49-30-16-42(17-31-49)7-10-45-22-36-52(56-3)37-23-45)50-32-18-43(19-33-50)8-11-46-24-38-53(57-4)39-25-46/h1,12-39H,2-4H3
InChIKey RLBVILSQJZSVMQ-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 734.894 g/mol
Solvent CDCl3
Source File Reference UWBT17417