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MAJOR_ISOMER
SpectraBase Compound ID EveveciRMr9
InChI InChI=1S/C29H35N3O10/c1-18(33)38-16-24-26(39-19(2)34)27(40-20(3)35)28(41-21(4)36)29(42-24)32-15-23(30-17-32)13-14-31(5)25(37)12-11-22-9-7-6-8-10-22/h6-12,15,17,24,26-29H,13-14,16H2,1-5H3/b12-11+
InChIKey IMGBKXLKGRBTAI-VAWYXSNFSA-N
Mol Weight 585.6 g/mol
Molecular Formula C29H35N3O10
Exact Mass 585.232244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lyfs54RzazR
Name MINOR_ISOMER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H35N3O10
InChI InChI=1S/C29H35N3O10/c1-18(33)38-16-24-26(39-19(2)34)27(40-20(3)35)28(41-21(4)36)29(42-24)32-15-23(30-17-32)13-14-31(5)25(37)12-11-22-9-7-6-8-10-22/h6-12,15,17,24,26-29H,13-14,16H2,1-5H3/b12-11+
InChIKey IMGBKXLKGRBTAI-VAWYXSNFSA-N
Literature Reference Author W.F.REYNOLDS,R.G.ENRIQUEZ,G.A.MAGOS,D.GNECCO
Literature Reference Citation MAGN.RES.CHEM.,38,366(2000)
Literature Reference DOI 10.1002/1097-458x(200005)38:5<366::aid-mrc650>3.0.co;2-8
Molecular Weight 585.611 g/mol
Solvent CDCl3
Source File Reference UWBS1094