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4',6'-Dimethoxy-4-fluoro-2'-hydroxychalcone, 2-methylpropionate
SpectraBase Compound ID LF7dSFwHPE9
InChI InChI=1S/C21H21FO5/c1-13(2)21(24)27-19-12-16(25-3)11-18(26-4)20(19)17(23)10-7-14-5-8-15(22)9-6-14/h5-13H,1-4H3/b10-7+
InChIKey LAAHFYCFRJCJMN-JXMROGBWSA-N
Mol Weight 372.39 g/mol
Molecular Formula C21H21FO5
Exact Mass 372.137302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CgOWKnV23L7
Name 4',6'-Dimethoxy-4-fluoro-2'-hydroxychalcone, 2-methylpropionate
Comments Computed using HOSE algorithm
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Exact Mass 372.137301934 u
Formula C21H21FO5
InChI InChI=1S/C21H21FO5/c1-13(2)21(24)27-19-12-16(25-3)11-18(26-4)20(19)17(23)10-7-14-5-8-15(22)9-6-14/h5-13H,1-4H3/b10-7+
InChIKey LAAHFYCFRJCJMN-JXMROGBWSA-N
Molecular Weight 372.392 g/mol
SMILES C1(=C(C=C(C=C1OC(C(C)C)=O)OC)OC)C(\C=C\C1=CC=C(C=C1)F)=O