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2',6'-Dihydroxy 4'-methoxydihydrochalcone, bis(trifluoroacetate)

View entire compound with spectra: 1 NMR

2',6'-Dihydroxy 4'-methoxydihydrochalcone, bis(trifluoroacetate)
SpectraBase Compound ID 4h9h6iW6OYy
InChI InChI=1S/C20H14F6O6/c1-30-12-9-14(31-17(28)19(21,22)23)16(15(10-12)32-18(29)20(24,25)26)13(27)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKey ZZANHWULUJRKKJ-UHFFFAOYSA-N
Mol Weight 464.32 g/mol
Molecular Formula C20H14F6O6
Exact Mass 464.069457 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Qv6E8N1aa2
Name 2',6'-Dihydroxy 4'-methoxydihydrochalcone, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
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Exact Mass 464.069457143 u
Formula C20H14F6O6
InChI InChI=1S/C20H14F6O6/c1-30-12-9-14(31-17(28)19(21,22)23)16(15(10-12)32-18(29)20(24,25)26)13(27)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3
InChIKey ZZANHWULUJRKKJ-UHFFFAOYSA-N
Molecular Weight 464.316 g/mol
SMILES C(CCC1=CC=CC=C1)(=O)C1=C(OC(C(F)(F)F)=O)C=C(C=C1OC(C(F)(F)F)=O)OC