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[(2E),(2'E)]-3,3'-[4,4'-(DODECANE-1,12-DIYLBIS-(OXY)]-BIS-(4,1-PHENYLENE)]-BIS-(1-PHENYLPROP-2-EN-1-ONE)
SpectraBase Compound ID CQ3GvpOKZPK
InChI InChI=1S/C42H46O4/c43-41(37-17-11-9-12-18-37)31-25-35-21-27-39(28-22-35)45-33-15-7-5-3-1-2-4-6-8-16-34-46-40-29-23-36(24-30-40)26-32-42(44)38-19-13-10-14-20-38/h9-14,17-32H,1-8,15-16,33-34H2/b31-25+,32-26+
InChIKey XXGZXQQGCVYZFI-YESHOFFLSA-N
Mol Weight 614.8 g/mol
Molecular Formula C42H46O4
Exact Mass 614.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nZE4bpxSp1
Name [(2E),(2'E)]-3,3'-[4,4'-(DODECANE-1,12-DIYLBIS-(OXY)]-BIS-(4,1-PHENYLENE)]-BIS-(1-PHENYLPROP-2-EN-1-ONE)
Compound Number 2H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H46O4
InChI InChI=1S/C42H46O4/c43-41(37-17-11-9-12-18-37)31-25-35-21-27-39(28-22-35)45-33-15-7-5-3-1-2-4-6-8-16-34-46-40-29-23-36(24-30-40)26-32-42(44)38-19-13-10-14-20-38/h9-14,17-32H,1-8,15-16,33-34H2/b31-25+,32-26+
InChIKey XXGZXQQGCVYZFI-YESHOFFLSA-N
Literature Reference Author M.YUSUF,P.JAIN
Literature Reference Citation J.CHEM.SCI.,125,117(2013)
Literature Reference DOI 10.1007/s12039-012-0355-9
Molecular Weight 614.825 g/mol
Solvent CDCl3
Source File Reference UWBT11314