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phenyl-[(2R,3S)-3-[4-(trifluoromethyl)phenyl]-2-oxiranyl]methanone
SpectraBase Compound ID GZoVkVTUXjJ
InChI InChI=1S/C16H11F3O2/c17-16(18,19)12-8-6-11(7-9-12)14-15(21-14)13(20)10-4-2-1-3-5-10/h1-9,14-15H/t14-,15-/m0/s1
InChIKey LYCOKVLILKDINA-GJZGRUSLSA-N
Mol Weight 292.26 g/mol
Molecular Formula C16H11F3O2
Exact Mass 292.071114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YN4TS7nDO3
Name Phenyl-[(2R,3S)-3-[4-(trifluoromethyl)phenyl]-2-oxiranyl]methanone
Comments Computed using HOSE algorithm
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Exact Mass 292.071114081 u
Formula C16H11F3O2
InChI InChI=1S/C16H11F3O2/c17-16(18,19)12-8-6-11(7-9-12)14-15(21-14)13(20)10-4-2-1-3-5-10/h1-9,14-15H/t14-,15-/m0/s1
InChIKey LYCOKVLILKDINA-GJZGRUSLSA-N
Molecular Weight 292.257 g/mol
SMILES [C@@]1(O[C@]1(C=1C=CC(C(F)(F)F)=CC1)[H])(C(=O)C1=CC=CC=C1)[H]