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CMVSQGBQDURZBX-LZYPDUGYSA-N
SpectraBase Compound ID BDO79QY5TuH
InChI InChI=1S/C29H27N3O9/c1-36-23-8-15(9-24(37-2)28(23)38-3)25-18-11-21-22(41-14-40-21)12-19(18)27-20(26(25)29(33)39-4)13-31(30-27)16-6-5-7-17(10-16)32(34)35/h5-12,20,25-26H,13-14H2,1-4H3/t20-,25+,26-/m0/s1
InChIKey CMVSQGBQDURZBX-LZYPDUGYSA-N
Mol Weight 561.55 g/mol
Molecular Formula C29H27N3O9
Exact Mass 561.174729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CrQSTS4F0FZ
Name CMVSQGBQDURZBX-LZYPDUGYSA-N
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H27N3O9
InChI InChI=1S/C29H27N3O9/c1-36-23-8-15(9-24(37-2)28(23)38-3)25-18-11-21-22(41-14-40-21)12-19(18)27-20(26(25)29(33)39-4)13-31(30-27)16-6-5-7-17(10-16)32(34)35/h5-12,20,25-26H,13-14H2,1-4H3/t20-,25+,26-/m0/s1
InChIKey CMVSQGBQDURZBX-LZYPDUGYSA-N
Literature Reference Author M.A.CASTRO,J.M.M.DELCORRAL,M.L.LOPEZ-VAZQUEZ,P.A.GARCIA,A.SA NFELICIANO,M.GORDALI
Literature Reference Citation MAGN.RES.CHEM.,35,808(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199711)35:11<808::aid-omr165>3.0.co;2-l
Molecular Weight 561.548 g/mol
Solvent CDCl3
Source File Reference UWCP3506