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2-propen-1-one, 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1-(2,5-dimethoxyphenyl)-, (2E)-
SpectraBase Compound ID 86qiGxokwj
InChI InChI=1S/C20H20O7/c1-22-13-6-8-16(23-2)14(10-13)15(21)7-5-12-9-17-19(27-11-26-17)20(25-4)18(12)24-3/h5-10H,11H2,1-4H3/b7-5+
InChIKey NZDAFDYQKAGGAQ-FNORWQNLSA-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 1QrSCIWbICW
Name 2-Propen-1-one, 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1-(2,5-dimethoxyphenyl)-, (2E)-
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/c1-22-13-6-8-16(23-2)14(10-13)15(21)7-5-12-9-17-19(27-11-26-17)20(25-4)18(12)24-3/h5-10H,11H2,1-4H3/b7-5+
InChIKey NZDAFDYQKAGGAQ-FNORWQNLSA-N
Molecular Weight 372.373 g/mol
SMILES C=1(\C=C\C(C=2C=C(C=CC2OC)OC)=O)C=C2C(=C(C1OC)OC)OCO2