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Coumarandione

View entire compound with spectra: 8 NMR, 1 FTIR, and 4 MS (GC)

Coumarandione
SpectraBase Compound ID 1SxEVsq3yyb
InChI InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H
InChIKey UUISWLJHAJBRAA-UHFFFAOYSA-N
Mol Weight 148.12 g/mol
Molecular Formula C8H4O3
Exact Mass 148.016044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2O3NPKtWXCF
Name COUMARANDION
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H4O3
InChI InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H
InChIKey UUISWLJHAJBRAA-UHFFFAOYSA-N
Literature Reference Author T.WINKLER,P.G.FERRINI,G.HAAS
Literature Reference Citation ORG.MAGN.RES.,12,101(1979)
Literature Reference DOI 10.1002/mrc.1270120213
Molecular Weight 148.118 g/mol
Solvent CDCl3
Source File Reference UNIW6275