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2',6'-Dihydroxy 4'-methoxydihydrochalcone, bis(heptafluorobutyrate)

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2',6'-Dihydroxy 4'-methoxydihydrochalcone, bis(heptafluorobutyrate)
SpectraBase Compound ID 267AHZwbuxH
InChI InChI=1S/C24H14F14O6/c1-42-12-9-14(43-17(40)19(25,26)21(29,30)23(33,34)35)16(13(39)8-7-11-5-3-2-4-6-11)15(10-12)44-18(41)20(27,28)22(31,32)24(36,37)38/h2-6,9-10H,7-8H2,1H3
InChIKey QMWUZLRDQYDQMJ-UHFFFAOYSA-N
Mol Weight 664.35 g/mol
Molecular Formula C24H14F14O6
Exact Mass 664.056682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7hj0yXaI3aW
Name 2',6'-Dihydroxy 4'-methoxydihydrochalcone, bis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 664.056682447 u
Formula C24H14F14O6
InChI InChI=1S/C24H14F14O6/c1-42-12-9-14(43-17(40)19(25,26)21(29,30)23(33,34)35)16(13(39)8-7-11-5-3-2-4-6-11)15(10-12)44-18(41)20(27,28)22(31,32)24(36,37)38/h2-6,9-10H,7-8H2,1H3
InChIKey QMWUZLRDQYDQMJ-UHFFFAOYSA-N
Molecular Weight 664.348 g/mol
SMILES C(CCC1=CC=CC=C1)(=O)C1=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=C(C=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC