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JGRUGBAXTTUGAL-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

JGRUGBAXTTUGAL-UHFFFAOYSA-N
SpectraBase Compound ID KWRUOU2xSmh
InChI InChI=1S/C24BF20.2C13H19N2.2CH3.CH2.2Al/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;2*1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;;;;;/h;2*5-11H,1-4H3;2*1H3;1H2;;/q3*-1;;;;2*+1
InChIKey JGRUGBAXTTUGAL-UHFFFAOYSA-N
Mol Weight 1183.7 g/mol
Molecular Formula C53H46Al2BF20N4
Exact Mass 1183.312693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtB0Xh6pn35
Name JGRUGBAXTTUGAL-UHFFFAOYSA-N
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H46Al2BF20N4
InChI InChI=1S/C24BF20.2C13H19N2.2CH3.CH2.2Al/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;2*1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;;;;;/h;2*5-11H,1-4H3;2*1H3;1H2;;/q3*-1;;;;2*+1
InChIKey JGRUGBAXTTUGAL-UHFFFAOYSA-N
Literature Reference Author A.V.KOROLEV,E.IHARA,I.A.GUZEI,V.G.YOUNG,R.F.JORDAN
Literature Reference Citation J.AM.CHEM.SOC.,123,8291(2001)
Literature Reference DOI 10.1021/ja010242e
Molecular Weight 1183.716 g/mol
Solvent C6D6
Source File Reference UWLU33160