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5-Hydroxy-7-methoxyflavanone, heptafluorobutyrate

View entire compound with spectra: 1 NMR, and 1 FTIR

5-Hydroxy-7-methoxyflavanone, heptafluorobutyrate
SpectraBase Compound ID 1R57y1WII79
InChI InChI=1S/C20H13F7O5/c1-30-11-7-14-16(12(28)9-13(31-14)10-5-3-2-4-6-10)15(8-11)32-17(29)18(21,22)19(23,24)20(25,26)27/h2-8,13H,9H2,1H3
InChIKey AAZSGMNFNHGLTM-UHFFFAOYSA-N
Mol Weight 466.31 g/mol
Molecular Formula C20H13F7O5
Exact Mass 466.065121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPdYEvdimSx
Name 5-Hydroxy-7-methoxyflavanone, heptafluorobutyrate
Comments Computed using HOSE algorithm
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Exact Mass 466.065120655 u
Formula C20H13F7O5
InChI InChI=1S/C20H13F7O5/c1-30-11-7-14-16(12(28)9-13(31-14)10-5-3-2-4-6-10)15(8-11)32-17(29)18(21,22)19(23,24)20(25,26)27/h2-8,13H,9H2,1H3
InChIKey AAZSGMNFNHGLTM-UHFFFAOYSA-N
Molecular Weight 466.308 g/mol
SMILES C1(OC=2C=C(C=C(C2C(C1)=O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)C1=CC=CC=C1