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acetic acid, [[3-(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-, methyl ester

View entire compound with spectra: 2 NMR

acetic acid, [[3-(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-, methyl ester
SpectraBase Compound ID BP4URbHz1eS
InChI InChI=1S/C20H18O7/c1-23-16-7-4-12(8-18(16)24-2)15-10-27-17-9-13(26-11-19(21)25-3)5-6-14(17)20(15)22/h4-10H,11H2,1-3H3
InChIKey MWCFUDSJTLMKJG-UHFFFAOYSA-N
Mol Weight 370.36 g/mol
Molecular Formula C20H18O7
Exact Mass 370.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6nnWVE62D9u
Name Acetic acid, [[3-(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.105252913 u
Formula C20H18O7
InChI InChI=1S/C20H18O7/c1-23-16-7-4-12(8-18(16)24-2)15-10-27-17-9-13(26-11-19(21)25-3)5-6-14(17)20(15)22/h4-10H,11H2,1-3H3
InChIKey MWCFUDSJTLMKJG-UHFFFAOYSA-N
Molecular Weight 370.357 g/mol
SMILES C=1(C(C2=CC=C(C=C2OC1)OCC(=O)OC)=O)C=1C=C(OC)C(=CC1)OC