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ETHYL-3,5-DI-[4-(4-ISOPROPOXYPHENYLETHYNYL)-PHENYL]-4-HYDROXYBENZOATE

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ETHYL-3,5-DI-[4-(4-ISOPROPOXYPHENYLETHYNYL)-PHENYL]-4-HYDROXYBENZOATE
SpectraBase Compound ID HC2TA9AqAed
InChI InChI=1S/C43H38O5/c1-6-46-43(45)37-27-40(35-19-11-31(12-20-35)7-9-33-15-23-38(24-16-33)47-29(2)3)42(44)41(28-37)36-21-13-32(14-22-36)8-10-34-17-25-39(26-18-34)48-30(4)5/h11-30,44H,6H2,1-5H3
InChIKey VJNRGWTZYLHNDN-UHFFFAOYSA-N
Mol Weight 634.8 g/mol
Molecular Formula C43H38O5
Exact Mass 634.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID kxJQD2wPih
Name ETHYL-3,5-DI-[4-(4-ISOPROPOXYPHENYLETHYNYL)-PHENYL]-4-HYDROXYBENZOATE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H38O5
InChI InChI=1S/C43H38O5/c1-6-46-43(45)37-27-40(35-19-11-31(12-20-35)7-9-33-15-23-38(24-16-33)47-29(2)3)42(44)41(28-37)36-21-13-32(14-22-36)8-10-34-17-25-39(26-18-34)48-30(4)5/h11-30,44H,6H2,1-5H3
InChIKey VJNRGWTZYLHNDN-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 634.772 g/mol
Sample ID 32701
Solvent CDCl3