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1,3,5-TRIS-(PARA-CARBOXYPHENYLETHYNYL)-2,4,6-TRIS-(PARA-HYDROXYPHENYLETHYNYL)-BENZENE

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1,3,5-TRIS-(PARA-CARBOXYPHENYLETHYNYL)-2,4,6-TRIS-(PARA-HYDROXYPHENYLETHYNYL)-BENZENE
SpectraBase Compound ID G0CAELPTWpr
InChI InChI=1S/C57H30O9/c58-46-25-7-40(8-26-46)16-34-52-49(31-13-37-1-19-43(20-2-37)55(61)62)53(35-17-41-9-27-47(59)28-10-41)51(33-15-39-5-23-45(24-6-39)57(65)66)54(36-18-42-11-29-48(60)30-12-42)50(52)32-14-38-3-21-44(22-4-38)56(63)64/h1-12,19-30,58-60H,(H,61,62)(H,63,64)(H,65,66)
InChIKey PBQJPXMAXRGFSC-UHFFFAOYSA-N
Mol Weight 858.9 g/mol
Molecular Formula C57H30O9
Exact Mass 858.188983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jXgJmRH0zc
Name 1,3,5-TRIS-(PARA-CARBOXYPHENYLETHYNYL)-2,4,6-TRIS-(PARA-HYDROXYPHENYLETHYNYL)-BENZENE
Compound Number 3K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H30O9
InChI InChI=1S/C57H30O9/c58-46-25-7-40(8-26-46)16-34-52-49(31-13-37-1-19-43(20-2-37)55(61)62)53(35-17-41-9-27-47(59)28-10-41)51(33-15-39-5-23-45(24-6-39)57(65)66)54(36-18-42-11-29-48(60)30-12-42)50(52)32-14-38-3-21-44(22-4-38)56(63)64/h1-12,19-30,58-60H,(H,61,62)(H,63,64)(H,65,66)
InChIKey PBQJPXMAXRGFSC-UHFFFAOYSA-N
Literature Reference Author K.KOBAYASHI,N.KOBAYASHI
Literature Reference Citation J.ORG.CHEM.,69,2487(2004)
Literature Reference DOI 10.1021/jo049948s
Molecular Weight 858.860 g/mol
Solvent DMSO-D6
Source File Reference UWVN21268