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4,2'-bis(Acetyl)oxy-3-methoxy-5'-methylchalcone (isomer 2)

View entire compound with spectra: 1 NMR, and 1 FTIR

4,2'-bis(Acetyl)oxy-3-methoxy-5'-methylchalcone (isomer 2)
SpectraBase Compound ID 8b4gDVKg0cO
InChI InChI=1S/C21H20O6/c1-13-5-9-19(26-14(2)22)17(11-13)18(24)8-6-16-7-10-20(27-15(3)23)21(12-16)25-4/h5-12H,1-4H3/b8-6+
InChIKey BXSYRDPYNADJHM-SOFGYWHQSA-N
Mol Weight 368.39 g/mol
Molecular Formula C21H20O6
Exact Mass 368.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DXH0tue2rsF
Name 4,2'-bis(Acetyl)oxy-3-methoxy-5'-methylchalcone (isomer 2)
Comments Computed using HOSE algorithm
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Exact Mass 368.125988358 u
Formula C21H20O6
InChI InChI=1S/C21H20O6/c1-13-5-9-19(26-14(2)22)17(11-13)18(24)8-6-16-7-10-20(27-15(3)23)21(12-16)25-4/h5-12H,1-4H3/b8-6+
InChIKey BXSYRDPYNADJHM-SOFGYWHQSA-N
Molecular Weight 368.385 g/mol
SMILES C1(=C(C=CC(=C1)C)OC(C)=O)C(\C=C\C=1C=CC(OC(C)=O)=C(C1)OC)=O