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1-(ETHYNYLPHENYL)-3,5,7-TRIS-(4-CARBOMETHOXYPHENYL)-ADAMANTANE
SpectraBase Compound ID 95YwYh54aWk
InChI InChI=1S/C42H38O6/c1-5-28-6-14-32(15-7-28)39-22-40(33-16-8-29(9-17-33)36(43)46-2)25-41(23-39,34-18-10-30(11-19-34)37(44)47-3)27-42(24-39,26-40)35-20-12-31(13-21-35)38(45)48-4/h1,6-21H,22-27H2,2-4H3/t39-,40+,41-,42+
InChIKey NGLFDWJIUHUEMC-LDCYWHLHSA-N
Mol Weight 638.8 g/mol
Molecular Formula C42H38O6
Exact Mass 638.266839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GeBgXAcobjK
Name 1-(ETHYNYLPHENYL)-3,5,7-TRIS-(4-CARBOMETHOXYPHENYL)-ADAMANTANE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H38O6
InChI InChI=1S/C42H38O6/c1-5-28-6-14-32(15-7-28)39-22-40(33-16-8-29(9-17-33)36(43)46-2)25-41(23-39,34-18-10-30(11-19-34)37(44)47-3)27-42(24-39,26-40)35-20-12-31(13-21-35)38(45)48-4/h1,6-21H,22-27H2,2-4H3/t39-,40+,41-,42+
InChIKey NGLFDWJIUHUEMC-LDCYWHLHSA-N
Literature Reference Author E.GALOPPINI,W.GUO,W.ZHANG,P.G.HOERTZ,P.QU,G.J.MEYER
Literature Reference Citation J.AM.CHEM.SOC.,124,7801(2002)
Literature Reference DOI 10.1021/ja025840n
Molecular Weight 638.760 g/mol
Sample ID 49271
Solvent CDCl3