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(1R,2R)-2-[Methyl-[1-(trifluoromethyl)-3-butenyl]-amino]-1-phenyl-1-propanol;minor-diastereomer
SpectraBase Compound ID H5Ax3hFl9DP
InChI InChI=1S/C14H18F3NO/c1-3-7-12(14(15,16)17)18-10(2)13(19)11-8-5-4-6-9-11/h3-6,8-10,12-13,18-19H,1,7H2,2H3/t10-,12?,13-/m0/s1
InChIKey FFGYLPSFJSHPKA-VLIRHVTKSA-N
Mol Weight 273.3 g/mol
Molecular Formula C14H18F3NO
Exact Mass 273.134049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JGdOQ3gC4IV
Name (1R,2R)-2-[Methyl-[1-(trifluoromethyl)-3-butenyl]-amino]-1-phenyl-1-propanol;minor-diastereomer
Comments Computed using HOSE algorithm
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Exact Mass 273.134048692 u
Formula C14H18F3NO
InChI InChI=1S/C14H18F3NO/c1-3-7-12(14(15,16)17)18-10(2)13(19)11-8-5-4-6-9-11/h3-6,8-10,12-13,18-19H,1,7H2,2H3/t10-,12?,13-/m0/s1
InChIKey FFGYLPSFJSHPKA-VLIRHVTKSA-N
Molecular Weight 273.299 g/mol
SMILES C(F)(C(CC=C)N[C@@](C)([C@](O)(C1=CC=CC=C1)[H])[H])(F)F