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Echinatin, bis(trifluoroacetate)

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

Echinatin, bis(trifluoroacetate)
SpectraBase Compound ID FU0U8vgriBc
InChI InChI=1S/C20H12F6O6/c1-30-16-10-14(32-18(29)20(24,25)26)8-4-12(16)5-9-15(27)11-2-6-13(7-3-11)31-17(28)19(21,22)23/h2-10H,1H3/b9-5+
InChIKey HAHOCZMFJOHNDD-WEVVVXLNSA-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 8NfyevYstq3
Name Echinatin, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.053807078 u
Formula C20H12F6O6
InChI InChI=1S/C20H12F6O6/c1-30-16-10-14(32-18(29)20(24,25)26)8-4-12(16)5-9-15(27)11-2-6-13(7-3-11)31-17(28)19(21,22)23/h2-10H,1H3/b9-5+
InChIKey HAHOCZMFJOHNDD-WEVVVXLNSA-N
Molecular Weight 462.300 g/mol
SMILES C(\C=C\C1=C(OC)C=C(C=C1)OC(C(F)(F)F)=O)(=O)C1=CC=C(C=C1)OC(C(F)(F)F)=O