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2'-Hydroxy-4-methylchalcone, pentafluoropropionate

View entire compound with spectra: 1 NMR

2'-Hydroxy-4-methylchalcone, pentafluoropropionate
SpectraBase Compound ID IQnpUb4n8EU
InChI InChI=1S/C19H13F5O3/c1-12-6-8-13(9-7-12)10-11-15(25)14-4-2-3-5-16(14)27-17(26)18(20,21)19(22,23)24/h2-11H,1H3/b11-10+
InChIKey FEAQWPMFACXCTB-ZHACJKMWSA-N
Mol Weight 384.3 g/mol
Molecular Formula C19H13F5O3
Exact Mass 384.078485 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6s0GWqI9JhV
Name 2'-Hydroxy-4-methylchalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 384.078485091 u
Formula C19H13F5O3
InChI InChI=1S/C19H13F5O3/c1-12-6-8-13(9-7-12)10-11-15(25)14-4-2-3-5-16(14)27-17(26)18(20,21)19(22,23)24/h2-11H,1H3/b11-10+
InChIKey FEAQWPMFACXCTB-ZHACJKMWSA-N
Molecular Weight 384.302 g/mol
SMILES C1(=CC=CC=C1OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C1=CC=C(C=C1)C)=O