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4,2'-Dihydroxy-3,4',6'-trimethoxychalcone, bis(pentafluoropropionate)

View entire compound with spectra: 1 NMR

4,2'-Dihydroxy-3,4',6'-trimethoxychalcone, bis(pentafluoropropionate)
SpectraBase Compound ID 5M0ITlCff8K
InChI InChI=1S/C24H16F10O8/c1-38-12-9-16(40-3)18(17(10-12)42-20(37)22(27,28)24(32,33)34)13(35)6-4-11-5-7-14(15(8-11)39-2)41-19(36)21(25,26)23(29,30)31/h4-10H,1-3H3/b6-4+
InChIKey YPXDKEZAMRHGIV-GQCTYLIASA-N
Mol Weight 622.37 g/mol
Molecular Formula C24H16F10O8
Exact Mass 622.068549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4EYRQ4eUnhT
Name 4,2'-Dihydroxy-3,4',6'-trimethoxychalcone, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 622.068549097 u
Formula C24H16F10O8
InChI InChI=1S/C24H16F10O8/c1-38-12-9-16(40-3)18(17(10-12)42-20(37)22(27,28)24(32,33)34)13(35)6-4-11-5-7-14(15(8-11)39-2)41-19(36)21(25,26)23(29,30)31/h4-10H,1-3H3/b6-4+
InChIKey YPXDKEZAMRHGIV-GQCTYLIASA-N
Molecular Weight 622.368 g/mol
SMILES C1(=C(C=C(C=C1OC(C(C(F)(F)F)(F)F)=O)OC)OC)C(\C=C\C1=CC=C(C(=C1)OC)OC(C(C(F)(F)F)(F)F)=O)=O