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Quercetin 4ac @P1617

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

Quercetin 4ac @P1617
SpectraBase Compound ID BDMewbZU06F
InChI InChI=1S/C23H18O11/c1-10(24)30-15-8-18(33-13(4)27)20-19(9-15)34-23(22(29)21(20)28)14-5-6-16(31-11(2)25)17(7-14)32-12(3)26/h5-9,29H,1-4H3
InChIKey XODUJKQNJAPCDW-UHFFFAOYSA-N
Mol Weight 470.39 g/mol
Molecular Formula C23H18O11
Exact Mass 470.084911 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpTIhm1Q7Xm
Name Quercetin 4ac @P1617
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.084911389 u
Formula C23H18O11
InChI InChI=1S/C23H18O11/c1-10(24)30-15-8-18(33-13(4)27)20-19(9-15)34-23(22(29)21(20)28)14-5-6-16(31-11(2)25)17(7-14)32-12(3)26/h5-9,29H,1-4H3
InChIKey XODUJKQNJAPCDW-UHFFFAOYSA-N
Molecular Weight 470.386 g/mol
SMILES C1(=C(OC2=CC(OC(=O)C)=CC(=C2C1=O)OC(=O)C)C=1C=C(C(OC(=O)C)=CC1)OC(=O)C)O