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Cardamonin, bis(trifluoroacetate)

View entire compound with spectra: 1 NMR

Cardamonin, bis(trifluoroacetate)
SpectraBase Compound ID LTT6n4vjJAB
InChI InChI=1S/C20H12F6O6/c1-30-14-9-12(31-17(28)19(21,22)23)10-15(32-18(29)20(24,25)26)16(14)13(27)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKey SYPVWIXWLKIBRO-BQYQJAHWSA-N
Mol Weight 462.3 g/mol
Molecular Formula C20H12F6O6
Exact Mass 462.053807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Af6Hmolw5ZO
Name Cardamonin, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
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Exact Mass 462.053807078 u
Formula C20H12F6O6
InChI InChI=1S/C20H12F6O6/c1-30-14-9-12(31-17(28)19(21,22)23)10-15(32-18(29)20(24,25)26)16(14)13(27)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKey SYPVWIXWLKIBRO-BQYQJAHWSA-N
Molecular Weight 462.300 g/mol
SMILES C(\C=C\C1=CC=CC=C1)(=O)C1=C(OC)C=C(C=C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O