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4-CHLORO-5,6,8-TRIHYDROXY-3-METHYLISOCHROMAN-1-ONE
SpectraBase Compound ID 22ICtYQp31E
InChI InChI=1S/C10H9ClO5/c1-3-8(11)7-6(10(15)16-3)4(12)2-5(13)9(7)14/h2-3,8,12-14H,1H3/t3-,8+/m1/s1
InChIKey FXVNXBBYKCQDIS-NHBGOVDGSA-N
Mol Weight 244.63 g/mol
Molecular Formula C10H9ClO5
Exact Mass 244.013851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LX1KZz6JMYs
Name 4-CHLORO-5,6,8-TRIHYDROXY-3-METHYLISOCHROMAN-1-ONE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H9ClO5
InChI InChI=1S/C10H9ClO5/c1-3-8(11)7-6(10(15)16-3)4(12)2-5(13)9(7)14/h2-3,8,12-14H,1H3/t3-,8+/m1/s1
InChIKey FXVNXBBYKCQDIS-NHBGOVDGSA-N
Literature Reference Author M.STADLER,H.ANKE,O.STERNER
Literature Reference Citation J.ANTIBIOTICS,48,267(1995)
Literature Reference DOI 10.7164/antibiotics.48.267
Molecular Weight 244.631 g/mol
Solvent CDCl3:CD3OD=20:1
Source File Reference UWRU2889