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MIXTURE

View entire compound with spectra: 1 NMR

MIXTURE
SpectraBase Compound ID 9pWzA2x3otI
InChI InChI=1S/2C11H13O3.2C9H9BN6.2C4H6N2.2CHF3O3S.2CO.2Re/c2*1-13-10-6-3-9(4-7-10)5-8-11(12)14-2;2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*1-6-3-2-5-4-6;2*2-1(3,4)8(5,6)7;2*1-2;;/h2*3,6,9H,5,8H2,1-2H3;2*1-9H;2*2-4H,1H3;2*(H,5,6,7);;;;/q2*+1;;;;;;;;;;/p-2/t2*9-;;;;;;;;;;/m10........../s1
InChIKey FGFHFOWHCWRAJG-SIFSFABCSA-L
Mol Weight 1701.26 g/mol
Molecular Formula C52H56B2F6N16O14Re2S2
Exact Mass 1702.280866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 72lHkOtL3Lk
Name MIXTURE
Compound Number 16A+16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H56B2F6N16O14Re2S2
InChI InChI=1S/2C11H13O3.2C9H9BN6.2C4H6N2.2CHF3O3S.2CO.2Re/c2*1-13-10-6-3-9(4-7-10)5-8-11(12)14-2;2*1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;2*1-6-3-2-5-4-6;2*2-1(3,4)8(5,6)7;2*1-2;;/h2*3,6,9H,5,8H2,1-2H3;2*1-9H;2*2-4H,1H3;2*(H,5,6,7);;;;/q2*+1;;;;;;;;;;/p-2/t2*9-;;;;;;;;;;/m10........../s1
InChIKey FGFHFOWHCWRAJG-SIFSFABCSA-L
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 1701.260 g/mol
Solvent ACETONE-D6
Source File Reference UWLU34815