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2',5'-Dihydroxy-4-methoxychalcone, bis(pentafluoropropionate)

View entire compound with spectra: 1 NMR

2',5'-Dihydroxy-4-methoxychalcone, bis(pentafluoropropionate)
SpectraBase Compound ID BrnwMYvdBA3
InChI InChI=1S/C22H12F10O6/c1-36-12-5-2-11(3-6-12)4-8-15(33)14-10-13(37-17(34)19(23,24)21(27,28)29)7-9-16(14)38-18(35)20(25,26)22(30,31)32/h2-10H,1H3/b8-4+
InChIKey XIKAXBHYRWYTFB-XBXARRHUSA-N
Mol Weight 562.32 g/mol
Molecular Formula C22H12F10O6
Exact Mass 562.04742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7oXzY6cp5hf
Name 2',5'-Dihydroxy-4-methoxychalcone, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
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Exact Mass 562.047419730 u
Formula C22H12F10O6
InChI InChI=1S/C22H12F10O6/c1-36-12-5-2-11(3-6-12)4-8-15(33)14-10-13(37-17(34)19(23,24)21(27,28)29)7-9-16(14)38-18(35)20(25,26)22(30,31)32/h2-10H,1H3/b8-4+
InChIKey XIKAXBHYRWYTFB-XBXARRHUSA-N
Molecular Weight 562.316 g/mol
SMILES C1(=CC(=CC=C1OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C1=CC=C(C=C1)OC)=O