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ENDO-MINOR-DIASTEREOMER

View entire compound with spectra: 1 NMR

ENDO-MINOR-DIASTEREOMER
SpectraBase Compound ID 5BqYONU5Z5m
InChI InChI=1S/C13H14NO3.C9H9BN6.C4H6N2.CHF3O3S.CO.Re/c1-8-6-9(17-3)4-5-10(8)11-7-12(15)14(2)13(11)16;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;/h6,10-11H,7H2,1-3H3;1-9H;2-4H,1H3;(H,5,6,7);;/q+1;;;;;/p-1/t10-,11?;;;;;/m0...../s1
InChIKey YGARIKRZGVIOBC-ZMHBJBHDSA-M
Mol Weight 889.67 g/mol
Molecular Formula C28H29BF3N9O7ReS
Exact Mass 890.151332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JjdYzRAy9w
Name ENDO-MINOR-DIASTEREOMER
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H29BF3N9O7ReS
InChI InChI=1S/C13H14NO3.C9H9BN6.C4H6N2.CHF3O3S.CO.Re/c1-8-6-9(17-3)4-5-10(8)11-7-12(15)14(2)13(11)16;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;/h6,10-11H,7H2,1-3H3;1-9H;2-4H,1H3;(H,5,6,7);;/q+1;;;;;/p-1/t10-,11?;;;;;/m0...../s1
InChIKey YGARIKRZGVIOBC-ZMHBJBHDSA-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 889.667 g/mol
Solvent ACETONE-D6
Source File Reference UWLU34814