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2,5'-Dimethoxy-2'-hydroxychalcone, 2-methylpropionate
SpectraBase Compound ID IhKGLuZbIz7
InChI InChI=1S/C21H22O5/c1-14(2)21(23)26-20-12-10-16(24-3)13-17(20)18(22)11-9-15-7-5-6-8-19(15)25-4/h5-14H,1-4H3/b11-9+
InChIKey VKTXFSRRPVGISI-PKNBQFBNSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JA2Z7xodjU7
Name 2,5'-Dimethoxy-2'-hydroxychalcone, 2-methylpropionate
Comments Computed using HOSE algorithm
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Exact Mass 354.146723803 u
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-14(2)21(23)26-20-12-10-16(24-3)13-17(20)18(22)11-9-15-7-5-6-8-19(15)25-4/h5-14H,1-4H3/b11-9+
InChIKey VKTXFSRRPVGISI-PKNBQFBNSA-N
Molecular Weight 354.402 g/mol
SMILES C1(=CC(=CC=C1OC(C(C)C)=O)OC)C(\C=C\C1=C(C=CC=C1)OC)=O