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

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

2'-(Acetyl)oxy-3,4,4',6'-tetramethoxychalcone (isomer 2)
SpectraBase Compound ID JqjW2IZEu5B
InChI InChI=1S/C21H22O7/c1-13(22)28-20-12-15(24-2)11-19(27-5)21(20)16(23)8-6-14-7-9-17(25-3)18(10-14)26-4/h6-12H,1-5H3/b8-6+
InChIKey OZMHSFMPDFXNBR-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 3l2bVHFHKNn
Name 2'-(Acetyl)oxy-3,4,4',6'-tetramethoxychalcone (isomer 2)
Comments Computed using HOSE algorithm
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Exact Mass 386.136553041 u
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-13(22)28-20-12-15(24-2)11-19(27-5)21(20)16(23)8-6-14-7-9-17(25-3)18(10-14)26-4/h6-12H,1-5H3/b8-6+
InChIKey OZMHSFMPDFXNBR-SOFGYWHQSA-N
Molecular Weight 386.400 g/mol
SMILES C1(=C(C=C(C=C1OC)OC)OC(C)=O)C(\C=C\C=1C=CC(OC)=C(OC)C1)=O