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DITIPYLACETONITRILE;BIS-(2,4,6-TRIISOPROPYLPHENYL)-ACETONITRILE
SpectraBase Compound ID K0iY9uLhLAu
InChI InChI=1S/C32H47N/c1-18(2)24-13-26(20(5)6)31(27(14-24)21(7)8)30(17-33)32-28(22(9)10)15-25(19(3)4)16-29(32)23(11)12/h13-16,18-23,30H,1-12H3
InChIKey KLRQVQPBEFAOQY-UHFFFAOYSA-N
Mol Weight 445.7 g/mol
Molecular Formula C32H47N
Exact Mass 445.370851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IYDeb8OoAMX
Name DITIPYLACETONITRILE;BIS-(2,4,6-TRIISOPROPYLPHENYL)-ACETONITRILE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H47N
InChI InChI=1S/C32H47N/c1-18(2)24-13-26(20(5)6)31(27(14-24)21(7)8)30(17-33)32-28(22(9)10)15-25(19(3)4)16-29(32)23(11)12/h13-16,18-23,30H,1-12H3
InChIKey KLRQVQPBEFAOQY-UHFFFAOYSA-N
Literature Reference Author J.FREY,Z.RAPPOPORT
Literature Reference Citation J.AM.CHEM.SOC.,118,5169(1996)
Literature Reference DOI 10.1021/ja9601090
Molecular Weight 445.732 g/mol
Sample ID 55136
Solvent CDCl3