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MAJOR-DIASTEREOMER

View entire compound with spectra: 1 NMR

MAJOR-DIASTEREOMER
SpectraBase Compound ID AehAzHoDtSM
InChI InChI=1S/C11H13O2.C9H9BN6.C4H6N2.CHF3O3S.CO.Re/c1-9(12)3-4-10-5-7-11(13-2)8-6-10;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-6-3-2-5-4-6;2-1(3,4)8(5,6)7;1-2;/h5,7,10H,3-4H2,1-2H3;1-9H;2-4H,1H3;(H,5,6,7);;/q+1;;;;;/p-1/t10-;;;;;/m0...../s1
InChIKey QJUSMTARSCOPCM-SBNSJFICSA-M
Mol Weight 834.63 g/mol
Molecular Formula C26H28BF3N8O6ReS
Exact Mass 835.145518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9OYZNm7VdS
Name MAJOR-DIASTEREOMER
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28BF3N8O6ReS
InChI InChI=1S/C11H13O2.C9H9BN6.C4H6N2.CHF3O3S.CO.Re/c1-9(12)3-4-10-5-7-11(13-2)8-6-10;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-6-3-2-5-4-6;2-1(3,4)8(5,6)7;1-2;/h5,7,10H,3-4H2,1-2H3;1-9H;2-4H,1H3;(H,5,6,7);;/q+1;;;;;/p-1/t10-;;;;;/m0...../s1
InChIKey QJUSMTARSCOPCM-SBNSJFICSA-M
Literature Reference Author P.L.SMITH,J.M.KEANE,S.E.SHANKMAN,M.D.CHORIDA,W.D.HARMAN
Literature Reference Citation J.AM.CHEM.SOC.,126,15543(2004)
Literature Reference DOI 10.1021/ja047054j
Molecular Weight 834.631 g/mol
Solvent ACETONE-D6
Source File Reference UWLU34801