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3,3-Diphenyl-N-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)propionamide

View entire compound with spectra: 1 NMR

3,3-Diphenyl-N-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)propionamide
SpectraBase Compound ID Cd1UujYODD5
InChI InChI=1S/C18H14F3N3OS/c19-18(20,21)16-23-24-17(26-16)22-15(25)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,22,24,25)
InChIKey JXRQVCHFFVCCSM-UHFFFAOYSA-N
Mol Weight 377.39 g/mol
Molecular Formula C18H14F3N3OS
Exact Mass 377.080968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iNorkyNouV
Name 3,3-Diphenyl-N-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)propionamide
Comments Computed using HOSE algorithm
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Exact Mass 377.080967745 u
Formula C18H14F3N3OS
InChI InChI=1S/C18H14F3N3OS/c19-18(20,21)16-23-24-17(26-16)22-15(25)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,22,24,25)
InChIKey JXRQVCHFFVCCSM-UHFFFAOYSA-N
Molecular Weight 377.385 g/mol
SMILES C(C(NC1=NN=C(S1)C(F)(F)F)=O)C(C1=CC=CC=C1)C1=CC=CC=C1