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2'-(Acetyl)oxy-4,4',6'-trimethoxychalcone (isomer 2)

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

2'-(Acetyl)oxy-4,4',6'-trimethoxychalcone (isomer 2)
SpectraBase Compound ID 9RoUMkngBw7
InChI InChI=1S/C20H20O6/c1-13(21)26-19-12-16(24-3)11-18(25-4)20(19)17(22)10-7-14-5-8-15(23-2)9-6-14/h5-12H,1-4H3/b10-7+
InChIKey GPWYAMAFBGDVII-JXMROGBWSA-N
Mol Weight 356.37 g/mol
Molecular Formula C20H20O6
Exact Mass 356.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANLoSrrAS2O
Name 2'-(Acetyl)oxy-4,4',6'-trimethoxychalcone (isomer 2)
Comments Computed using HOSE algorithm
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Exact Mass 356.125988358 u
Formula C20H20O6
InChI InChI=1S/C20H20O6/c1-13(21)26-19-12-16(24-3)11-18(25-4)20(19)17(22)10-7-14-5-8-15(23-2)9-6-14/h5-12H,1-4H3/b10-7+
InChIKey GPWYAMAFBGDVII-JXMROGBWSA-N
Molecular Weight 356.374 g/mol
SMILES C1(=C(C=C(C=C1OC)OC)OC(C)=O)C(\C=C\C=1C=CC(OC)=CC1)=O