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3,5-DI-[4-(4-ISOPROPOXYPHENYLETHYNYL)-PHENYL]-4-METHOXYBENZOIC-ACID

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3,5-DI-[4-(4-ISOPROPOXYPHENYLETHYNYL)-PHENYL]-4-METHOXYBENZOIC-ACID
SpectraBase Compound ID BlM4vWCntCo
InChI InChI=1S/C42H36O5/c1-28(2)46-37-22-14-32(15-23-37)8-6-30-10-18-34(19-11-30)39-26-36(42(43)44)27-40(41(39)45-5)35-20-12-31(13-21-35)7-9-33-16-24-38(25-17-33)47-29(3)4/h10-29H,1-5H3,(H,43,44)
InChIKey BPSNWLAGRSBOJA-UHFFFAOYSA-N
Mol Weight 620.7 g/mol
Molecular Formula C42H36O5
Exact Mass 620.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CV6pESbOiI
Name 3,5-DI-[4-(4-ISOPROPOXYPHENYLETHYNYL)-PHENYL]-4-METHOXYBENZOIC-ACID
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H36O5
InChI InChI=1S/C42H36O5/c1-28(2)46-37-22-14-32(15-23-37)8-6-30-10-18-34(19-11-30)39-26-36(42(43)44)27-40(41(39)45-5)35-20-12-31(13-21-35)7-9-33-16-24-38(25-17-33)47-29(3)4/h10-29H,1-5H3,(H,43,44)
InChIKey BPSNWLAGRSBOJA-UHFFFAOYSA-N
Literature Reference Author A.GODT,G.JESCHKE
Literature Reference Citation MAGN.RES.CHEM.,43,S110(2005)
Literature Reference DOI 10.1002/mrc.1687
Molecular Weight 620.745 g/mol
Sample ID 32703
Solvent CDCl3