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4,4,4-Trifluoro-1-(4-methoxyphenyl)-3-phenyl-1-butanone

View entire compound with spectra: 2 NMR

4,4,4-Trifluoro-1-(4-methoxyphenyl)-3-phenyl-1-butanone
SpectraBase Compound ID HP6N2Irwpov
InChI InChI=1S/C17H15F3O2/c1-22-14-9-7-13(8-10-14)16(21)11-15(17(18,19)20)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3/t15-/m1/s1
InChIKey XUPKWBXHSCYQIV-OAHLLOKOSA-N
Mol Weight 308.3 g/mol
Molecular Formula C17H15F3O2
Exact Mass 308.102414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Do3KmHHSw2E
Name 4,4,4-Trifluoro-1-(4-methoxyphenyl)-3-phenyl-1-butanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.102414210 u
Formula C17H15F3O2
InChI InChI=1S/C17H15F3O2/c1-22-14-9-7-13(8-10-14)16(21)11-15(17(18,19)20)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3/t15-/m1/s1
InChIKey XUPKWBXHSCYQIV-OAHLLOKOSA-N
Molecular Weight 308.300 g/mol
SMILES C(F)([C@@](C1=CC=CC=C1)(CC(=O)C1=CC=C(C=C1)OC)[H])(F)F