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4'-Hydroxy-4-methoxy-2'-methylchalcone, 2-methylpropionate
SpectraBase Compound ID 28nooiNhNYD
InChI InChI=1S/C21H22O4/c1-14(2)21(23)25-18-10-11-19(15(3)13-18)20(22)12-7-16-5-8-17(24-4)9-6-16/h5-14H,1-4H3/b12-7+
InChIKey CESXQMPHSHGDCY-KPKJPENVSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ArNiGyQkCZP
Name 4'-Hydroxy-4-methoxy-2'-methylchalcone, 2-methylpropionate
Comments Computed using HOSE algorithm
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Exact Mass 338.151809184 u
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-14(2)21(23)25-18-10-11-19(15(3)13-18)20(22)12-7-16-5-8-17(24-4)9-6-16/h5-14H,1-4H3/b12-7+
InChIKey CESXQMPHSHGDCY-KPKJPENVSA-N
Molecular Weight 338.403 g/mol
SMILES C1(=CC=C(C=C1C)OC(C(C)C)=O)C(\C=C\C1=CC=C(C=C1)OC)=O