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1,6-bis(3,4-Dimethoxyphenyl)-3,4-dihydroxy-2,4-hexadiene-1,6-dione

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1,6-bis(3,4-Dimethoxyphenyl)-3,4-dihydroxy-2,4-hexadiene-1,6-dione
SpectraBase Compound ID LaAsMIFBj4t
InChI InChI=1S/C22H22O8/c1-27-19-7-5-13(9-21(19)29-3)15(23)11-17(25)18(26)12-16(24)14-6-8-20(28-2)22(10-14)30-4/h5-12,25-26H,1-4H3/b17-11+,18-12+
InChIKey PQJKWJJAXZQKDU-JYFOCSDGSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9CrROwi9yr
Name 1,6-bis(3,4-Dimethoxyphenyl)-3,4-dihydroxy-2,4-hexadiene-1,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.131467660 u
Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-27-19-7-5-13(9-21(19)29-3)15(23)11-17(25)18(26)12-16(24)14-6-8-20(28-2)22(10-14)30-4/h5-12,25-26H,1-4H3/b17-11+,18-12+
InChIKey PQJKWJJAXZQKDU-JYFOCSDGSA-N
Molecular Weight 414.410 g/mol
SMILES C(\C=C/(\C(=C/C(C1=CC(OC)=C(C=C1)OC)=O)O)O)(C1=CC(OC)=C(C=C1)OC)=O