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7-(Heptafluorobutyryl)oxyisoflavone

View entire compound with spectra: 1 NMR

7-(Heptafluorobutyryl)oxyisoflavone
SpectraBase Compound ID LoCzEcIm7bY
InChI InChI=1S/C19H9F7O4/c20-17(21,18(22,23)19(24,25)26)16(28)30-11-6-7-12-14(8-11)29-9-13(15(12)27)10-4-2-1-3-5-10/h1-9H
InChIKey RNYNGRAPSAWSAJ-UHFFFAOYSA-N
Mol Weight 434.27 g/mol
Molecular Formula C19H9F7O4
Exact Mass 434.038906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97QvdSkFmtk
Name 7-(Heptafluorobutyryl)oxyisoflavone
Comments Computed using HOSE algorithm
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Exact Mass 434.038905907 u
Formula C19H9F7O4
InChI InChI=1S/C19H9F7O4/c20-17(21,18(22,23)19(24,25)26)16(28)30-11-6-7-12-14(8-11)29-9-13(15(12)27)10-4-2-1-3-5-10/h1-9H
InChIKey RNYNGRAPSAWSAJ-UHFFFAOYSA-N
Molecular Weight 434.266 g/mol
SMILES C1(=CC=CC=C1)C=1C(=O)C2=C(C=C(C=C2)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC1