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3,6-BIS-(3,3,3-TRIPHENYLPROPYNYL)-ANILINE
SpectraBase Compound ID 4Sn1xCsDb7A
InChI InChI=1S/C48H35N/c49-46-37-38(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,49H2
InChIKey PDCHQKSWHXCPDT-UHFFFAOYSA-N
Mol Weight 625.8 g/mol
Molecular Formula C48H35N
Exact Mass 625.27695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID W2OhAn8mL5
Name 3,6-BIS-(3,3,3-TRIPHENYLPROPYNYL)-ANILINE
Compound Number 1 E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H35N
InChI InChI=1S/C48H35N/c49-46-37-38(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,49H2
InChIKey PDCHQKSWHXCPDT-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 625.813 g/mol
Sample ID 41776
Solvent CD2Cl2