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N-{2-[2-Fluoro-4'-(trifluoromethyl)biphenyl-4-yl]propionyl}-methanesulfonamide
SpectraBase Compound ID F2zuYjW2zDX
InChI InChI=1S/C17H15F4NO3S/c1-10(16(23)22-26(2,24)25)12-5-8-14(15(18)9-12)11-3-6-13(7-4-11)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKey HORRTYAVJQBMGZ-UHFFFAOYSA-N
Mol Weight 389.36 g/mol
Molecular Formula C17H15F4NO3S
Exact Mass 389.070877 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20IJdBSaWzB
Name N-{2-[2-Fluoro-4'-(trifluoromethyl)biphenyl-4-yl]propionyl}-methanesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 389.070877170 u
Formula C17H15F4NO3S
InChI InChI=1S/C17H15F4NO3S/c1-10(16(23)22-26(2,24)25)12-5-8-14(15(18)9-12)11-3-6-13(7-4-11)17(19,20)21/h3-10H,1-2H3,(H,22,23)
InChIKey HORRTYAVJQBMGZ-UHFFFAOYSA-N
Molecular Weight 389.365 g/mol
SMILES C(NS(=O)(=O)C)(C(C=1C=C(F)C(=CC1)C1=CC=C(C(F)(F)F)C=C1)C)=O