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3-(3,4-Dihydroxyphenyl)-6-(2-methoxycarbonylethenyl)-1,4-benzodioxane-2-carboxylic acid methyl ester
SpectraBase Compound ID FXcMK6V8Pqv
InChI InChI=1S/C20H18O8/c1-25-17(23)8-4-11-3-7-15-16(9-11)28-18(19(27-15)20(24)26-2)12-5-6-13(21)14(22)10-12/h3-10,18-19,21-22H,1-2H3/b8-4+
InChIKey ZESJXKOPWFADEZ-XBXARRHUSA-N
Mol Weight 386.36 g/mol
Molecular Formula C20H18O8
Exact Mass 386.100168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1fouCVKag1G
Name 3-(3,4-Dihydroxyphenyl)-6-(2-methoxycarbonylethenyl)-1,4-benzodioxane-2-carboxylic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.100167532 u
Formula C20H18O8
InChI InChI=1S/C20H18O8/c1-25-17(23)8-4-11-3-7-15-16(9-11)28-18(19(27-15)20(24)26-2)12-5-6-13(21)14(22)10-12/h3-10,18-19,21-22H,1-2H3/b8-4+
InChIKey ZESJXKOPWFADEZ-XBXARRHUSA-N
Molecular Weight 386.356 g/mol
SMILES C1(OC2=CC=C(\C=C\C(=O)OC)C=C2OC1C=1C=C(O)C(=CC1)O)C(=O)OC