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2'-Hydroxy-2,4,4',5,6'-pentamethoxychalcone, 2-methylpropionate
SpectraBase Compound ID Kj9yR9nIKKj
InChI InChI=1S/C24H28O8/c1-14(2)24(26)32-22-12-16(27-3)11-21(31-7)23(22)17(25)9-8-15-10-19(29-5)20(30-6)13-18(15)28-4/h8-14H,1-7H3/b9-8+
InChIKey FRZUCOULMKDZHO-CMDGGOBGSA-N
Mol Weight 444.48 g/mol
Molecular Formula C24H28O8
Exact Mass 444.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DF2221pPzmO
Name 2'-Hydroxy-2,4,4',5,6'-pentamethoxychalcone, 2-methylpropionate
Comments Computed using HOSE algorithm
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Exact Mass 444.178417854 u
Formula C24H28O8
InChI InChI=1S/C24H28O8/c1-14(2)24(26)32-22-12-16(27-3)11-21(31-7)23(22)17(25)9-8-15-10-19(29-5)20(30-6)13-18(15)28-4/h8-14H,1-7H3/b9-8+
InChIKey FRZUCOULMKDZHO-CMDGGOBGSA-N
Molecular Weight 444.480 g/mol
SMILES C1(=C(C=C(C=C1OC(C(C)C)=O)OC)OC)C(\C=C\C1=CC(=C(C=C1OC)OC)OC)=O