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4-hydroxy-2,3,6-trimethoxy-5H-benzocyclohepten-5-one

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4-hydroxy-2,3,6-trimethoxy-5H-benzocyclohepten-5-one
SpectraBase Compound ID 8y3mySGipxt
InChI InChI=1S/C14H14O5/c1-17-9-6-4-5-8-7-10(18-2)14(19-3)13(16)11(8)12(9)15/h4-7,16H,1-3H3
InChIKey XTJAFDFIRGFIHA-UHFFFAOYSA-N
Mol Weight 262.26 g/mol
Molecular Formula C14H14O5
Exact Mass 262.084124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FbLSvcBWxWw
Name 2,3,6-TRIMETHYLPURPUROGALLIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14O5
InChI InChI=1S/C14H14O5/c1-17-9-6-4-5-8-7-10(18-2)14(19-3)13(16)11(8)12(9)15/h4-7,16H,1-3H3
InChIKey XTJAFDFIRGFIHA-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 262.262 g/mol
Solvent CDCl3
Source File Reference UWMR95