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STUMCGPXQDKOCD-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

STUMCGPXQDKOCD-UHFFFAOYSA-N
SpectraBase Compound ID 2rU5t9yAw16
InChI InChI=1S/C24BF20.C13H19N2.C3H7.C2H3N.Al/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;1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;1-3-2;1-2-3;/h;5-11H,1-4H3;1,3H2,2H3;1H3;/q2*-1;;;+2
InChIKey STUMCGPXQDKOCD-UHFFFAOYSA-N
Mol Weight 993.47 g/mol
Molecular Formula C42H29AlBF20N3
Exact Mass 993.195055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KOD67mvp07
Name STUMCGPXQDKOCD-UHFFFAOYSA-N
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H29AlBF20N3
InChI InChI=1S/C24BF20.C13H19N2.C3H7.C2H3N.Al/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;1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;1-3-2;1-2-3;/h;5-11H,1-4H3;1,3H2,2H3;1H3;/q2*-1;;;+2
InChIKey STUMCGPXQDKOCD-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 993.472 g/mol
Solvent C6D5Cl
Source File Reference UWLU33196