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2-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxo-4H-1-benzopyran-6-carboxylic acid

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

2-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxo-4H-1-benzopyran-6-carboxylic acid
SpectraBase Compound ID 7KC7O7bMh4q
InChI InChI=1S/C16H10O7/c17-10-3-1-7(6-11(10)18)15-14(20)13(19)9-5-8(16(21)22)2-4-12(9)23-15/h1-6,17-18,20H,(H,21,22)
InChIKey UMFTYXBOYJEZGY-UHFFFAOYSA-N
Mol Weight 314.25 g/mol
Molecular Formula C16H10O7
Exact Mass 314.042653 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5dal1krReiL
Name 2-(3,4-Dihydroxyphenyl)-3-hydroxy-4-oxo-4H-1-benzopyran-6-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.042652655 u
Formula C16H10O7
InChI InChI=1S/C16H10O7/c17-10-3-1-7(6-11(10)18)15-14(20)13(19)9-5-8(16(21)22)2-4-12(9)23-15/h1-6,17-18,20H,(H,21,22)
InChIKey UMFTYXBOYJEZGY-UHFFFAOYSA-N
Molecular Weight 314.249 g/mol
SMILES OC1=CC=C(C=C1O)C1=C(C(C=2C=C(C=CC2O1)C(O)=O)=O)O