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

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2',4'-Dihydroxy-4-methoxychalcone, bis(pentafluoropropionate)
SpectraBase Compound ID DkQJc20pxfH
InChI InChI=1S/C22H12F10O6/c1-36-12-5-2-11(3-6-12)4-9-15(33)14-8-7-13(37-17(34)19(23,24)21(27,28)29)10-16(14)38-18(35)20(25,26)22(30,31)32/h2-10H,1H3/b9-4+
InChIKey QXVFANPWJCZBII-RUDMXATFSA-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 5dcnIJIv6Kn
Name 2',4'-Dihydroxy-4-methoxychalcone, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 562.047419730 u
Formula C22H12F10O6
InChI InChI=1S/C22H12F10O6/c1-36-12-5-2-11(3-6-12)4-9-15(33)14-8-7-13(37-17(34)19(23,24)21(27,28)29)10-16(14)38-18(35)20(25,26)22(30,31)32/h2-10H,1H3/b9-4+
InChIKey QXVFANPWJCZBII-RUDMXATFSA-N
Molecular Weight 562.316 g/mol
SMILES C1(=CC=C(C=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