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2'-Hydroxy-6'-methyl-3,4-methylenedioxychalcone, trifluoroacetate

View entire compound with spectra: 1 NMR

2'-Hydroxy-6'-methyl-3,4-methylenedioxychalcone, trifluoroacetate
SpectraBase Compound ID 60KysRBQXyO
InChI InChI=1S/C19H13F3O5/c1-11-3-2-4-15(27-18(24)19(20,21)22)17(11)13(23)7-5-12-6-8-14-16(9-12)26-10-25-14/h2-9H,10H2,1H3/b7-5+
InChIKey BXFWNCSNXKIBOB-FNORWQNLSA-N
Mol Weight 378.3 g/mol
Molecular Formula C19H13F3O5
Exact Mass 378.071508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HAeatG7aeKr
Name 2'-Hydroxy-6'-methyl-3,4-methylenedioxychalcone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 378.071508003 u
Formula C19H13F3O5
InChI InChI=1S/C19H13F3O5/c1-11-3-2-4-15(27-18(24)19(20,21)22)17(11)13(23)7-5-12-6-8-14-16(9-12)26-10-25-14/h2-9H,10H2,1H3/b7-5+
InChIKey BXFWNCSNXKIBOB-FNORWQNLSA-N
Molecular Weight 378.303 g/mol
SMILES C1(=C(C=CC=C1OC(C(F)(F)F)=O)C)C(\C=C\C1=CC2=C(C=C1)OCO2)=O