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Cardamonin, bis(pentafluoropropionate)

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

Cardamonin, bis(pentafluoropropionate)
SpectraBase Compound ID 6aPXbCmUmCz
InChI InChI=1S/C22H12F10O6/c1-36-14-9-12(37-17(34)19(23,24)21(27,28)29)10-15(38-18(35)20(25,26)22(30,31)32)16(14)13(33)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKey IMUMEGVBTOJOMN-BQYQJAHWSA-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 AbPZKwzP0SO
Name Cardamonin, 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/c1-36-14-9-12(37-17(34)19(23,24)21(27,28)29)10-15(38-18(35)20(25,26)22(30,31)32)16(14)13(33)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+
InChIKey IMUMEGVBTOJOMN-BQYQJAHWSA-N
Molecular Weight 562.316 g/mol
SMILES C(\C=C\C1=CC=CC=C1)(=O)C1=C(OC)C=C(C=C1OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O