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11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester
SpectraBase Compound ID L3fB1afj2u4
InChI InChI=1S/C20H20O7/c1-8-7-12(24-5)9(2)16-13(8)20(23)27-18-11(4)15(21)14(19(22)25-6)10(3)17(18)26-16/h7,21H,1-6H3
InChIKey GBAQJUAXTCJTDK-UHFFFAOYSA-N
Mol Weight 372.37 g/mol
Molecular Formula C20H20O7
Exact Mass 372.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LqGBuybNQG0
Name 11H-Dibenzo[B,E][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-1,4,6,9-tetramethyl-11-oxo-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.120902977 u
Formula C20H20O7
InChI InChI=1S/C20H20O7/c1-8-7-12(24-5)9(2)16-13(8)20(23)27-18-11(4)15(21)14(19(22)25-6)10(3)17(18)26-16/h7,21H,1-6H3
InChIKey GBAQJUAXTCJTDK-UHFFFAOYSA-N
Molecular Weight 372.373 g/mol
SMILES C1(C)=C2C(=C(C(=C1C(OC)=O)O)C)OC(=O)C1=C(O2)C(C)=C(OC)C=C1C