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2-(2-Carboxyethyl)-5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(2-Carboxyethyl)-5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
SpectraBase Compound ID 9ozZNKqcWs
InChI InChI=1S/C18H14O7/c19-10-3-1-9(2-4-10)16-13(5-6-15(22)23)25-14-8-11(20)7-12(21)17(14)18(16)24/h1-4,7-8,19-21H,5-6H2,(H,22,23)
InChIKey MCHVSKYVFAUYFU-UHFFFAOYSA-N
Mol Weight 342.3 g/mol
Molecular Formula C18H14O7
Exact Mass 342.073953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DgSJe0jOD8D
Name 2-(2-Carboxyethyl)-5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.073952784 u
Formula C18H14O7
InChI InChI=1S/C18H14O7/c19-10-3-1-9(2-4-10)16-13(5-6-15(22)23)25-14-8-11(20)7-12(21)17(14)18(16)24/h1-4,7-8,19-21H,5-6H2,(H,22,23)
InChIKey MCHVSKYVFAUYFU-UHFFFAOYSA-N
Molecular Weight 342.303 g/mol
SMILES C1(C2=C(C=C(C=C2O)O)OC(=C1C1=CC=C(C=C1)O)CCC(=O)O)=O