John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=39aWunZfFNV SpectraBase Spectrum ID=2VyvztmNXdH

(accessed ).
LA-(NH-2,6-IPR-(2)-C6H3)-(3)-(THF)-(3)
SpectraBase Compound ID 39aWunZfFNV
InChI InChI=1S/3C12H18N.3C4H8O.La/c3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*1-2-4-5-3-1;/h3*5-9,13H,1-4H3;3*1-4H2;/q3*-1;;;;+3
InChIKey AUKIZFMMVSZENG-UHFFFAOYSA-N
Mol Weight 884.1 g/mol
Molecular Formula C48H78LaN3O3
Exact Mass 883.510674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VyvztmNXdH
Name LA-(NH-2,6-IPR-(2)-C6H3)-(3)-(THF)-(3)
Compound Number 2
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Formula C48H78LaN3O3
InChI InChI=1S/3C12H18N.3C4H8O.La/c3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;3*1-2-4-5-3-1;/h3*5-9,13H,1-4H3;3*1-4H2;/q3*-1;;;;+3
InChIKey AUKIZFMMVSZENG-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 884.071 g/mol
Solvent THF-D8
Source File Reference UWSI27248
SpectraBase Batch ID KfifnRsnupO