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KEALIIQUINONE
SpectraBase Compound ID BUR1xcysr8x
InChI InChI=1S/C21H18N2O6/c1-23-13-9-12-15(18(25)20(29-4)19(28-3)17(12)24)14(16(13)22-21(23)26)10-5-7-11(27-2)8-6-10/h5-9H,1-4H3,(H,22,26)
InChIKey VFOZXTRKCQFIOX-UHFFFAOYSA-N
Mol Weight 394.38 g/mol
Molecular Formula C21H18N2O6
Exact Mass 394.116486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3mdWWBfycPa
Name KEALIIQUINONE
CAS Registry Number 124535-78-0
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N2O6
InChI InChI=1S/C21H18N2O6/c1-23-13-9-12-15(18(25)20(29-4)19(28-3)17(12)24)14(16(13)22-21(23)26)10-5-7-11(27-2)8-6-10/h5-9H,1-4H3,(H,22,26)
InChIKey VFOZXTRKCQFIOX-UHFFFAOYSA-N
Literature Reference Author R.K.AKEE,T.R.CARROLL,W.Y.YOSHIDA,P.J.SCHEUER,T.J.STOUT,J.CLA RDY
Literature Reference Citation J.ORG.CHEM.,55,1944(1990)
Literature Reference DOI 10.1021/jo00293a048
Molecular Weight 394.384 g/mol
Solvent DMSO-D6
Source File Reference UWED14687