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ANGUSTILOBINE_B_N-(4)-OXIDE
SpectraBase Compound ID AsxmoSST5P1
InChI InChI=1S/C20H22N2O4/c1-25-19(23)20-12-26-9-7-13-10-22(24,8-6-16(13)20)11-15-14-4-2-3-5-17(14)21-18(15)20/h2-5,7,16,21H,6,8-12H2,1H3/t16-,20-,22?/m0/s1
InChIKey MGRIOAUVLBQEGI-MZRGNRRKSA-N
Mol Weight 354.41 g/mol
Molecular Formula C20H22N2O4
Exact Mass 354.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQSfSMNMxP7
Name ANGUSTILOBINE_B_N-(4)-OXIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22N2O4
InChI InChI=1S/C20H22N2O4/c1-25-19(23)20-12-26-9-7-13-10-22(24,8-6-16(13)20)11-15-14-4-2-3-5-17(14)21-18(15)20/h2-5,7,16,21H,6,8-12H2,1H3/t16-,20-,22?/m0/s1
InChIKey MGRIOAUVLBQEGI-MZRGNRRKSA-N
Literature Reference Author A.P.G.MACABEO,K.KROHN,D.GEHLE,R.W.READ,J.J.BROPHY,G.A.CORDEL L,S.G.FRANZBLAU,A.M.
Literature Reference Citation PHYTOCHEM.,66,1158(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.02.018
Molecular Weight 354.406 g/mol
Solvent C5D5N
Source File Reference UWMZ25849