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4,5-Dioxo-dehydro-Asimilobine

View entire compound with spectra: 3 NMR, 1 FTIR, and 4 MS (GC)

4,5-Dioxo-dehydro-Asimilobine
SpectraBase Compound ID JItn93dWloz
InChI InChI=1S/C17H11NO4/c1-22-16-12(19)7-10-13-11(18-17(21)15(10)20)6-8-4-2-3-5-9(8)14(13)16/h2-7,19H,1H3,(H,18,21)
InChIKey FPIKZASYTJSPJN-UHFFFAOYSA-N
Mol Weight 293.28 g/mol
Molecular Formula C17H11NO4
Exact Mass 293.068808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IF5aVSxnVN8
Name 4,5-DIOXO-DEHYDROASIMILOBINE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H11NO4
InChI InChI=1S/C17H11NO4/c1-22-16-12(19)7-10-13-11(18-17(21)15(10)20)6-8-4-2-3-5-9(8)14(13)16/h2-7,19H,1H3,(H,18,21)
InChIKey FPIKZASYTJSPJN-UHFFFAOYSA-N
Literature Reference Author H.GUINAUDEAU,M.LEBCEUF,A.CAVE
Literature Reference Citation J.NAT.PROD.,57,1033(1994)
Literature Reference DOI 10.1021/np50110a001
Molecular Weight 293.279 g/mol
Solvent PYRIDINE-D5
Source File Reference UWTS1525