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YKBZEGRNKXEYLN-DPCONOQBSA-N
SpectraBase Compound ID 3WE5zUxWYNQ
InChI InChI=1S/C21H35N2O13P/c1-2-3-8-37(32,33-7-5-11-15(26)18(29)16(27)12(9-24)35-11)34-10-13-17(28)19(30)20(36-13)23-6-4-14(25)22-21(23)31/h4,6,11-13,15-20,24,26-30H,2-3,5,7-10H2,1H3,(H,22,25,31)/t11-,12-,13-,15+,16-,17-,18-,19-,20-,37?/m0/s1
InChIKey YKBZEGRNKXEYLN-DPCONOQBSA-N
Mol Weight 554.5 g/mol
Molecular Formula C21H35N2O13P
Exact Mass 554.187676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqViViQwzqM
Name YKBZEGRNKXEYLN-DPCONOQBSA-N
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H35N2O13P
InChI InChI=1S/C21H35N2O13P/c1-2-3-8-37(32,33-7-5-11-15(26)18(29)16(27)12(9-24)35-11)34-10-13-17(28)19(30)20(36-13)23-6-4-14(25)22-21(23)31/h4,6,11-13,15-20,24,26-30H,2-3,5,7-10H2,1H3,(H,22,25,31)/t11-,12-,13-,15+,16-,17-,18-,19-,20-,37?/m0/s1
InChIKey YKBZEGRNKXEYLN-DPCONOQBSA-N
Literature Reference Author H.J.G.BROXTERMAN,P.A.KOOREMAN,H.VANDERELST,H.C.P.F.ROELEN,G. A.VANDERMAREL,J.H.VA
Literature Reference Citation REC.TR.CH.P.-B.,109,583(1990)
Literature Reference DOI 10.1002/recl.19901091204
Molecular Weight 554.488 g/mol
Solvent CD3OD
Source File Reference UWTS2020