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[1,1'-biphenyl]-4-carboxamide, N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-
SpectraBase Compound ID 31Bz11GfFNN
InChI InChI=1S/C16H10F3N3OS/c17-16(18,19)14-21-22-15(24-14)20-13(23)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,20,22,23)
InChIKey CPOYFTVHLJLICB-UHFFFAOYSA-N
Mol Weight 349.33 g/mol
Molecular Formula C16H10F3N3OS
Exact Mass 349.049668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHuHIPScLtv
Name [1,1'-Biphenyl]-4-carboxamide, N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-
Comments Computed using HOSE algorithm
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Exact Mass 349.049667616 u
Formula C16H10F3N3OS
InChI InChI=1S/C16H10F3N3OS/c17-16(18,19)14-21-22-15(24-14)20-13(23)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,20,22,23)
InChIKey CPOYFTVHLJLICB-UHFFFAOYSA-N
Molecular Weight 349.331 g/mol
SMILES N(C=1SC(=NN1)C(F)(F)F)C(C1=CC=C(C=C1)C=1C=CC=CC1)=O