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JMSZJUCNLNWISV-ZGXWSNOMSA-N
SpectraBase Compound ID HPVsg7xIt6M
InChI InChI=1S/C21H25NO9/c1-12(23)28-11-17-19(30-14(3)25)20(31-15(4)26)18(29-13(2)24)10-22(17)21(27)16-8-6-5-7-9-16/h5-9,17-20H,10-11H2,1-4H3/t17-,18+,19-,20+/m0/s1
InChIKey JMSZJUCNLNWISV-ZGXWSNOMSA-N
Mol Weight 435.43 g/mol
Molecular Formula C21H25NO9
Exact Mass 435.152931 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCsFrBJZZG3
Name JMSZJUCNLNWISV-ZGXWSNOMSA-N
Compound Number 87
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25NO9
InChI InChI=1S/C21H25NO9/c1-12(23)28-11-17-19(30-14(3)25)20(31-15(4)26)18(29-13(2)24)10-22(17)21(27)16-8-6-5-7-9-16/h5-9,17-20H,10-11H2,1-4H3/t17-,18+,19-,20+/m0/s1
InChIKey JMSZJUCNLNWISV-ZGXWSNOMSA-N
Literature Reference Author X.D.WU,S.K.KHIM,X.ZHANG,E.M.CEDERSTROM,P.S.MARIANO
Literature Reference Citation J.ORG.CHEM.,63,841(1998)
Literature Reference DOI 10.1021/jo971706n
Molecular Weight 435.431 g/mol
Solvent CDCl3
Source File Reference UWSI27180