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3-(Acetyl)oxy-2',4,4',6'-tetramethoxychalcone

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

3-(Acetyl)oxy-2',4,4',6'-tetramethoxychalcone
SpectraBase Compound ID I5mssQ5jJv4
InChI InChI=1S/C21H22O7/c1-13(22)28-18-10-14(7-9-17(18)25-3)6-8-16(23)21-19(26-4)11-15(24-2)12-20(21)27-5/h6-12H,1-5H3/b8-6+
InChIKey XODJFGSHHXJMRY-SOFGYWHQSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6s3UqDiOxEG
Name 3-(Acetyl)oxy-2',4,4',6'-tetramethoxychalcone
Comments Computed using HOSE algorithm
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Exact Mass 386.136553041 u
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-13(22)28-18-10-14(7-9-17(18)25-3)6-8-16(23)21-19(26-4)11-15(24-2)12-20(21)27-5/h6-12H,1-5H3/b8-6+
InChIKey XODJFGSHHXJMRY-SOFGYWHQSA-N
Molecular Weight 386.400 g/mol
SMILES C1(=CC(OC)=C(C(=C1)OC)C(=O)\C=C\C1=CC(=C(C=C1)OC)OC(C)=O)OC