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2,5-BIS-(3,3,3-TRIPHENYLPROPYNYL)-BENZONITRILE
SpectraBase Compound ID 2I9lM4zlIor
InChI InChI=1S/C49H33N/c50-38-41-37-39(33-35-48(42-19-7-1-8-20-42,43-21-9-2-10-22-43)44-23-11-3-12-24-44)31-32-40(41)34-36-49(45-25-13-4-14-26-45,46-27-15-5-16-28-46)47-29-17-6-18-30-47/h1-32,37H
InChIKey GHJVADFRZHQNEK-UHFFFAOYSA-N
Mol Weight 635.8 g/mol
Molecular Formula C49H33N
Exact Mass 635.2613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HERDrwgXfPT
Name 2,5-BIS-(3,3,3-TRIPHENYLPROPYNYL)-BENZONITRILE
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H33N
InChI InChI=1S/C49H33N/c50-38-41-37-39(33-35-48(42-19-7-1-8-20-42,43-21-9-2-10-22-43)44-23-11-3-12-24-44)31-32-40(41)34-36-49(45-25-13-4-14-26-45,46-27-15-5-16-28-46)47-29-17-6-18-30-47/h1-32,37H
InChIKey GHJVADFRZHQNEK-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 635.808 g/mol
Sample ID 41774
Solvent CD2Cl2