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5,7-dihydroxy-3-(p-methoxy)-4-oxo-4H-1-benzopyran-2-carboxylic acid, ethyl ester

View entire compound with spectra: 3 NMR, 2 FTIR, and 1 UV-Vis

5,7-dihydroxy-3-(p-methoxy)-4-oxo-4H-1-benzopyran-2-carboxylic acid, ethyl ester
SpectraBase Compound ID 8AxpWrK8RGZ
InChI InChI=1S/C19H16O7/c1-3-25-19(23)18-15(10-4-6-12(24-2)7-5-10)17(22)16-13(21)8-11(20)9-14(16)26-18/h4-9,20-21H,3H2,1-2H3
InChIKey WIXLQXLEPYJDRJ-UHFFFAOYSA-N
Mol Weight 356.33 g/mol
Molecular Formula C19H16O7
Exact Mass 356.089603 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4gyCcEEgVhY
Name 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number C3308
CAS Registry Number 15485-76-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16O7
InChI InChI=1S/C19H16O7/c1-3-25-19(23)18-15(10-4-6-12(24-2)7-5-10)17(22)16-13(21)8-11(20)9-14(16)26-18/h4-9,20-21H,3H2,1-2H3
InChIKey WIXLQXLEPYJDRJ-UHFFFAOYSA-N
Observed nucleus 1H
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Ethyl 5,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-4H-benzo[b]pyran-2-carboxylate
Wiley ID SIAL_1HNMR_011040