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4'-(4-TERT.-BUTYLPHENYL)-2,2':6',2''-TERPYRIDINE-4,4''-BISCARBOXYLIC-ACID

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4'-(4-TERT.-BUTYLPHENYL)-2,2':6',2''-TERPYRIDINE-4,4''-BISCARBOXYLIC-ACID
SpectraBase Compound ID 9oYBgvcjddB
InChI InChI=1S/C27H23N3O4/c1-27(2,3)20-6-4-16(5-7-20)19-14-23(21-12-17(25(31)32)8-10-28-21)30-24(15-19)22-13-18(26(33)34)9-11-29-22/h4-15H,1-3H3,(H,31,32)(H,33,34)
InChIKey SVGHIYLTDHHBQF-UHFFFAOYSA-N
Mol Weight 453.5 g/mol
Molecular Formula C27H23N3O4
Exact Mass 453.168856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3McAfwTnA9s
Name 4'-(4-TERT.-BUTYLPHENYL)-2,2':6',2''-TERPYRIDINE-4,4''-BISCARBOXYLIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H23N3O4
InChI InChI=1S/C27H23N3O4/c1-27(2,3)20-6-4-16(5-7-20)19-14-23(21-12-17(25(31)32)8-10-28-21)30-24(15-19)22-13-18(26(33)34)9-11-29-22/h4-15H,1-3H3,(H,31,32)(H,33,34)
InChIKey SVGHIYLTDHHBQF-UHFFFAOYSA-N
Literature Reference Author F.WEHMEIER,J.MATTAY
Literature Reference Citation BEIL.J.ORG.CHEM.,6,54,1(2010)
Molecular Weight 453.497 g/mol
Solvent DMSO-D6
Source File Reference UWBT10103