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2,3,4,6-tetrahydroxy-5H-benzocyclohepten-5-one
SpectraBase Compound ID DTuo8ijZMsA
InChI InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
InChIKey WDGFFVCWBZVLCE-UHFFFAOYSA-N
Mol Weight 220.18 g/mol
Molecular Formula C11H8O5
Exact Mass 220.037173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7sgCKbZH2Rp
Name 2,3,4,6-TETRAHYDROXY-5H-BENZOCYCLOHEPTEN-5-ONE;PURPUROGALLIN
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H8O5
InChI InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
InChIKey WDGFFVCWBZVLCE-UHFFFAOYSA-N
Literature Reference Author P.E.HANSEN
Literature Reference Citation MAGN.RES.CHEM.,31,71(1993)
Literature Reference DOI 10.1002/mrc.1260310115
Molecular Weight 220.182 g/mol
Solvent CDCl3:DMSO-D6=5:1
Source File Reference UWMR89