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

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4,2'-Dihydroxy-3,4',6'-trimethoxychalcone, bis(trifluoroacetate)
SpectraBase Compound ID 3J6xGKfApiM
InChI InChI=1S/C22H16F6O8/c1-32-12-9-16(34-3)18(17(10-12)36-20(31)22(26,27)28)13(29)6-4-11-5-7-14(15(8-11)33-2)35-19(30)21(23,24)25/h4-10H,1-3H3/b6-4+
InChIKey MMCIPUJTWOYEIL-GQCTYLIASA-N
Mol Weight 522.35 g/mol
Molecular Formula C22H16F6O8
Exact Mass 522.074936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L9ELU7uFL6m
Name 4,2'-Dihydroxy-3,4',6'-trimethoxychalcone, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.074936445 u
Formula C22H16F6O8
InChI InChI=1S/C22H16F6O8/c1-32-12-9-16(34-3)18(17(10-12)36-20(31)22(26,27)28)13(29)6-4-11-5-7-14(15(8-11)33-2)35-19(30)21(23,24)25/h4-10H,1-3H3/b6-4+
InChIKey MMCIPUJTWOYEIL-GQCTYLIASA-N
Molecular Weight 522.352 g/mol
SMILES C1(=C(C=C(C=C1OC(C(F)(F)F)=O)OC)OC)C(\C=C\C1=CC=C(C(=C1)OC)OC(C(F)(F)F)=O)=O