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4'-Chloro-2-hydroxy-4-methoxybenzophenone, heptafluorobutyrate

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

4'-Chloro-2-hydroxy-4-methoxybenzophenone, heptafluorobutyrate
SpectraBase Compound ID 473g94S9Zo9
InChI InChI=1S/C18H10ClF7O4/c1-29-11-6-7-12(14(27)9-2-4-10(19)5-3-9)13(8-11)30-15(28)16(20,21)17(22,23)18(24,25)26/h2-8H,1H3
InChIKey ODPQLQQEBYQDJR-UHFFFAOYSA-N
Mol Weight 458.72 g/mol
Molecular Formula C18H10ClF7O4
Exact Mass 458.015584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRqbFOTw6RF
Name 4'-Chloro-2-hydroxy-4-methoxybenzophenone, heptafluorobutyrate
Comments Computed using HOSE algorithm
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Exact Mass 458.015583639 u
Formula C18H10ClF7O4
InChI InChI=1S/C18H10ClF7O4/c1-29-11-6-7-12(14(27)9-2-4-10(19)5-3-9)13(8-11)30-15(28)16(20,21)17(22,23)18(24,25)26/h2-8H,1H3
InChIKey ODPQLQQEBYQDJR-UHFFFAOYSA-N
Molecular Weight 458.716 g/mol
SMILES C1(Cl)=CC=C(C=C1)C(=O)C1=C(C=C(C=C1)OC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F