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LA-(NH-2,6-IPR-(2)-C6H3)-(3)-(PY)-(2)
SpectraBase Compound ID 4gL6weqW5Ip
InChI InChI=1S/3C12H18N.2C5H5N.La/c3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-2-4-6-5-3-1;/h3*5-9,13H,1-4H3;2*1-5H;/q3*-1;;;+3
InChIKey FHWUMFXWTVRDFE-UHFFFAOYSA-N
Mol Weight 826.0 g/mol
Molecular Formula C46H64LaN5
Exact Mass 825.422532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22SWMF2O909
Name LA-(NH-2,6-IPR-(2)-C6H3)-(3)-(PY)-(2)
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H64LaN5
InChI InChI=1S/3C12H18N.2C5H5N.La/c3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-2-4-6-5-3-1;/h3*5-9,13H,1-4H3;2*1-5H;/q3*-1;;;+3
InChIKey FHWUMFXWTVRDFE-UHFFFAOYSA-N
Literature Reference Author G.R.GIESBRECHT,J.C.GORDON,D.L.CLARK,P.J.HAY,B.L.SCOTT,C.D.TA IT
Literature Reference Citation J.AM.CHEM.SOC.,126,6387(2004)
Literature Reference DOI 10.1021/ja0398262
Molecular Weight 825.953 g/mol
Solvent THF-D8
Source File Reference UWSI27249