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5-Hydroxy-7-methoxyflavanone, pentafluoropropionate

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

5-Hydroxy-7-methoxyflavanone, pentafluoropropionate
SpectraBase Compound ID 1HdsfKRZFak
InChI InChI=1S/C19H13F5O5/c1-27-11-7-14-16(12(25)9-13(28-14)10-5-3-2-4-6-10)15(8-11)29-17(26)18(20,21)19(22,23)24/h2-8,13H,9H2,1H3
InChIKey AELXMRXEZZJGGB-UHFFFAOYSA-N
Mol Weight 416.3 g/mol
Molecular Formula C19H13F5O5
Exact Mass 416.068314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LTVQmwWalrf
Name 5-Hydroxy-7-methoxyflavanone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 416.068314329 u
Formula C19H13F5O5
InChI InChI=1S/C19H13F5O5/c1-27-11-7-14-16(12(25)9-13(28-14)10-5-3-2-4-6-10)15(8-11)29-17(26)18(20,21)19(22,23)24/h2-8,13H,9H2,1H3
InChIKey AELXMRXEZZJGGB-UHFFFAOYSA-N
Molecular Weight 416.300 g/mol
SMILES C1(OC=2C=C(C=C(C2C(C1)=O)OC(C(C(F)(F)F)(F)F)=O)OC)C1=CC=CC=C1