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4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbutenyl)-

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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbutenyl)-
SpectraBase Compound ID 8mmMJejRFPh
InChI InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-11,21-23H,1-2H3/b8-3+
InChIKey IEIJBAIVOGWFFT-FPYGCLRLSA-N
Mol Weight 338.36 g/mol
Molecular Formula C20H18O5
Exact Mass 338.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HWnfVlCGvrY
Name 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-(3-methylbutenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.115423675 u
Formula C20H18O5
InChI InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h3-11,21-23H,1-2H3/b8-3+
InChIKey IEIJBAIVOGWFFT-FPYGCLRLSA-N
Molecular Weight 338.359 g/mol
SMILES C1=2C(C(C3=CC=C(C=C3)O)=COC1=CC(O)=C(C2O)\C=C\C(C)C)=O