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Phloretin, tetra(trifluoroacetate)
SpectraBase Compound ID Gi3sAN0emfp
InChI InChI=1S/C23H10F12O9/c24-20(25,26)16(37)41-10-4-1-9(2-5-10)3-6-12(36)15-13(43-18(39)22(30,31)32)7-11(42-17(38)21(27,28)29)8-14(15)44-19(40)23(33,34)35/h1-2,4-5,7-8H,3,6H2
InChIKey FMXLCAUEXHSLNU-UHFFFAOYSA-N
Mol Weight 658.3 g/mol
Molecular Formula C23H10F12O9
Exact Mass 658.01332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3YHA54uzND
Name Phloretin, tetra(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 658.013319849 u
Formula C23H10F12O9
InChI InChI=1S/C23H10F12O9/c24-20(25,26)16(37)41-10-4-1-9(2-5-10)3-6-12(36)15-13(43-18(39)22(30,31)32)7-11(42-17(38)21(27,28)29)8-14(15)44-19(40)23(33,34)35/h1-2,4-5,7-8H,3,6H2
InChIKey FMXLCAUEXHSLNU-UHFFFAOYSA-N
Molecular Weight 658.305 g/mol
SMILES C1(=C(C=C(C=C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)C(=O)CCC1=CC=C(C=C1)OC(C(F)(F)F)=O