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5'-Fluoro-2'-hydroxy-4-methylchalcone, trifluoroacetate

View entire compound with spectra: 1 NMR

5'-Fluoro-2'-hydroxy-4-methylchalcone, trifluoroacetate
SpectraBase Compound ID 2bEny9Amx4K
InChI InChI=1S/C18H12F4O3/c1-11-2-4-12(5-3-11)6-8-15(23)14-10-13(19)7-9-16(14)25-17(24)18(20,21)22/h2-10H,1H3/b8-6+
InChIKey NPGYQBUKYCWLTC-SOFGYWHQSA-N
Mol Weight 352.28 g/mol
Molecular Formula C18H12F4O3
Exact Mass 352.072257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LiYGEyETmxb
Name 5'-Fluoro-2'-hydroxy-4-methylchalcone, trifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.072256895 u
Formula C18H12F4O3
InChI InChI=1S/C18H12F4O3/c1-11-2-4-12(5-3-11)6-8-15(23)14-10-13(19)7-9-16(14)25-17(24)18(20,21)22/h2-10H,1H3/b8-6+
InChIKey NPGYQBUKYCWLTC-SOFGYWHQSA-N
Molecular Weight 352.285 g/mol
SMILES C1(=CC(=CC=C1OC(C(F)(F)F)=O)F)C(\C=C\C1=CC=C(C=C1)C)=O