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AFEWPSMTLYPKEJ-UYVPJCOTSA-N

View entire compound with spectra: 1 NMR

AFEWPSMTLYPKEJ-UYVPJCOTSA-N
SpectraBase Compound ID DTG1j88f5B3
InChI InChI=1S/C21H26O4.C9H9BN6.C5H5N.CO.Re/c1-20(2,18(22)24-5)13-14-7-8-15-9-10-17(12-16(15)11-14)21(3,4)19(23)25-6;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-2-4-6-5-3-1;1-2;/h7-8,11,17H,12-13H2,1-6H3;1-9H;1-5H;;/t17-;;;;/m0..../s1
InChIKey AFEWPSMTLYPKEJ-UYVPJCOTSA-N
Mol Weight 847.8 g/mol
Molecular Formula C36H40BN7O5Re
Exact Mass 848.27415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FDxES7nwQGA
Name AFEWPSMTLYPKEJ-UYVPJCOTSA-N
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H40BN7O5Re
InChI InChI=1S/C21H26O4.C9H9BN6.C5H5N.CO.Re/c1-20(2,18(22)24-5)13-14-7-8-15-9-10-17(12-16(15)11-14)21(3,4)19(23)25-6;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-2-4-6-5-3-1;1-2;/h7-8,11,17H,12-13H2,1-6H3;1-9H;1-5H;;/t17-;;;;/m0..../s1
InChIKey AFEWPSMTLYPKEJ-UYVPJCOTSA-N
Literature Reference Author F.DING,M.T.VALAHOVIC,J.M.KEANE,M.R.ANSTEY,M.SABAT,C.O.TRINDL E,W.D.HARMAN
Literature Reference Citation J.ORG.CHEM.,69,2257(2004)
Literature Reference DOI 10.1021/jo030318k
Molecular Weight 847.775 g/mol
Solvent ACETONE-D6
Source File Reference UWVN21219