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ENDO-DIASTEREOMER

View entire compound with spectra: 1 NMR

ENDO-DIASTEREOMER
SpectraBase Compound ID 3O0J0xm3k1S
InChI InChI=1S/C12H12NO3.C9H9BN6.C4H6N2.CHF3O3S.CO.Re/c1-13-11(14)7-10(12(13)15)8-3-5-9(16-2)6-4-8;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;/h3,5,8,10H,7H2,1-2H3;1-9H;2-4H,1H3;(H,5,6,7);;/q+1;;;;;/p-1/t8-,10?;;;;;/m1...../s1
InChIKey BREOAXRTTTXGPU-QSEJMFJWSA-M
Mol Weight 875.64 g/mol
Molecular Formula C27H27BF3N9O7ReS
Exact Mass 876.135682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUxWpug0Gsp
Name ENDO-DIASTEREOMER
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H27BF3N9O7ReS
InChI InChI=1S/C12H12NO3.C9H9BN6.C4H6N2.CHF3O3S.CO.Re/c1-13-11(14)7-10(12(13)15)8-3-5-9(16-2)6-4-8;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;/h3,5,8,10H,7H2,1-2H3;1-9H;2-4H,1H3;(H,5,6,7);;/q+1;;;;;/p-1/t8-,10?;;;;;/m1...../s1
InChIKey BREOAXRTTTXGPU-QSEJMFJWSA-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 875.640 g/mol
Solvent ACETONE-D6
Source File Reference UWLU34812