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HDAFVOZRAUFNQH-WTKGSRSZSA-N

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HDAFVOZRAUFNQH-WTKGSRSZSA-N
SpectraBase Compound ID BmKPau5DtBb
InChI InChI=1S/C28H30N2O3.ClHO4/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;2-1(3,4)5/h9-16,29H,6-8H2,1-5H3;(H,2,3,4,5)/b30-24+;
InChIKey HDAFVOZRAUFNQH-WTKGSRSZSA-N
Mol Weight 543.02 g/mol
Molecular Formula C28H31ClN2O7
Exact Mass 542.181979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 245NPXtfn3u
Name HDAFVOZRAUFNQH-WTKGSRSZSA-N
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H31ClN2O7
InChI InChI=1S/C28H30N2O3.ClHO4/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;2-1(3,4)5/h9-16,29H,6-8H2,1-5H3;(H,2,3,4,5)/b30-24+;
InChIKey HDAFVOZRAUFNQH-WTKGSRSZSA-N
Literature Reference Author S.S.RAMOS,A.F.VILHENA,L.SANTOS,P.ALMEIDA
Literature Reference Citation MAGN.RES.CHEM.,38,475(2000)
Literature Reference DOI 10.1002/1097-458x(200006)38:6<475::aid-mrc662>3.0.co;2-x
Molecular Weight 543.016 g/mol
Solvent CDCl3