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2,5-BIS-(3,3,3-TRIPHENYLPROPYNYL)-NITROBENZENE
SpectraBase Compound ID I8SSXxr35GO
InChI InChI=1S/C48H33NO2/c50-49(51)46-37-38(33-35-47(40-19-7-1-8-20-40,41-21-9-2-10-22-41)42-23-11-3-12-24-42)31-32-39(46)34-36-48(43-25-13-4-14-26-43,44-27-15-5-16-28-44)45-29-17-6-18-30-45/h1-32,37H
InChIKey INMDFZTZGPLIFZ-UHFFFAOYSA-N
Mol Weight 655.8 g/mol
Molecular Formula C48H33NO2
Exact Mass 655.251129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dce1zrBReny
Name 2,5-BIS-(3,3,3-TRIPHENYLPROPYNYL)-NITROBENZENE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H33NO2
InChI InChI=1S/C48H33NO2/c50-49(51)46-37-38(33-35-47(40-19-7-1-8-20-40,41-21-9-2-10-22-41)42-23-11-3-12-24-42)31-32-39(46)34-36-48(43-25-13-4-14-26-43,44-27-15-5-16-28-44)45-29-17-6-18-30-45/h1-32,37H
InChIKey INMDFZTZGPLIFZ-UHFFFAOYSA-N
Literature Reference Author Z.DOMINQUEZ,T.A.V.KHUONG,H.DANG,C.N.SANRAME,J.E.NUNEZ,M.A.GA RCIA-GARIBAY
Literature Reference Citation J.AM.CHEM.SOC.,125,8827(2003)
Literature Reference DOI 10.1021/ja035274b
Molecular Weight 655.796 g/mol
Sample ID 41775
Solvent CD2Cl2