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4',6'-Dimethoxy-2'-hydroxy-3-nitrochalcone, 2-methylpropionate

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

4',6'-Dimethoxy-2'-hydroxy-3-nitrochalcone, 2-methylpropionate
SpectraBase Compound ID FK2e4SnPvaH
InChI InChI=1S/C21H21NO7/c1-13(2)21(24)29-19-12-16(27-3)11-18(28-4)20(19)17(23)9-8-14-6-5-7-15(10-14)22(25)26/h5-13H,1-4H3/b9-8+
InChIKey BSOJHQVTOUYTPA-CMDGGOBGSA-N
Mol Weight 399.4 g/mol
Molecular Formula C21H21NO7
Exact Mass 399.131802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jw51Tw6rbvA
Name 4',6'-Dimethoxy-2'-hydroxy-3-nitrochalcone, 2-methylpropionate
Comments Computed using HOSE algorithm
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Exact Mass 399.131802013 u
Formula C21H21NO7
InChI InChI=1S/C21H21NO7/c1-13(2)21(24)29-19-12-16(27-3)11-18(28-4)20(19)17(23)9-8-14-6-5-7-15(10-14)22(25)26/h5-13H,1-4H3/b9-8+
InChIKey BSOJHQVTOUYTPA-CMDGGOBGSA-N
Molecular Weight 399.399 g/mol
SMILES C1(=C(C=C(C=C1OC(C(C)C)=O)OC)OC)C(\C=C\C1=CC=CC(=C1)N(=O)=O)=O