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2,5-BIS-(3,3,3-TRIPHENYLPROPYNYL)-4-NITROANILINE
SpectraBase Compound ID 6Urfqsh1Yrv
InChI InChI=1S/C48H34N2O2/c49-45-35-38(32-34-48(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44)46(50(51)52)36-37(45)31-33-47(39-19-7-1-8-20-39,40-21-9-2-10-22-40)41-23-11-3-12-24-41/h1-30,35-36H,49H2
InChIKey KMAMUCWJVLPLBY-UHFFFAOYSA-N
Mol Weight 670.8 g/mol
Molecular Formula C48H34N2O2
Exact Mass 670.262028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfXVyCwbpPl
Name 2,5-BIS-(3,3,3-TRIPHENYLPROPYNYL)-4-NITROANILINE
Compound Number 1G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H34N2O2
InChI InChI=1S/C48H34N2O2/c49-45-35-38(32-34-48(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44)46(50(51)52)36-37(45)31-33-47(39-19-7-1-8-20-39,40-21-9-2-10-22-40)41-23-11-3-12-24-41/h1-30,35-36H,49H2
InChIKey KMAMUCWJVLPLBY-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 670.810 g/mol
Sample ID 41778
Solvent CD2Cl2