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

View entire compound with spectra: 1 NMR

4,2'-bis(Acetyl)oxy-3,4',6'-trimethoxychalcone (isomer 2)
SpectraBase Compound ID IQ52Vnwt0ON
InChI InChI=1S/C22H22O8/c1-13(23)29-18-9-7-15(10-19(18)27-4)6-8-17(25)22-20(28-5)11-16(26-3)12-21(22)30-14(2)24/h6-12H,1-5H3/b8-6+
InChIKey CUZJDKGVBUZHQI-SOFGYWHQSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4I443Ib83jk
Name 4,2'-bis(Acetyl)oxy-3,4',6'-trimethoxychalcone (isomer 2)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.131467660 u
Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-13(23)29-18-9-7-15(10-19(18)27-4)6-8-17(25)22-20(28-5)11-16(26-3)12-21(22)30-14(2)24/h6-12H,1-5H3/b8-6+
InChIKey CUZJDKGVBUZHQI-SOFGYWHQSA-N
Molecular Weight 414.410 g/mol
SMILES C1(=C(C=C(C=C1OC)OC)OC(C)=O)C(\C=C\C=1C=CC(OC(C)=O)=C(OC)C1)=O