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3-Phenyl-N-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl) butyramide

View entire compound with spectra: 1 NMR

3-Phenyl-N-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl) butyramide
SpectraBase Compound ID EoZvHWFJkx9
InChI InChI=1S/C13H12F3N3OS/c1-8(9-5-3-2-4-6-9)7-10(20)17-12-19-18-11(21-12)13(14,15)16/h2-6,8H,7H2,1H3,(H,17,19,20)
InChIKey GITQLUBCNIFZAP-UHFFFAOYSA-N
Mol Weight 315.31 g/mol
Molecular Formula C13H12F3N3OS
Exact Mass 315.065318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQN7KFSeV8s
Name 3-Phenyl-N-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl) butyramide
Comments Computed using HOSE algorithm
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Exact Mass 315.065317680 u
Formula C13H12F3N3OS
InChI InChI=1S/C13H12F3N3OS/c1-8(9-5-3-2-4-6-9)7-10(20)17-12-19-18-11(21-12)13(14,15)16/h2-6,8H,7H2,1H3,(H,17,19,20)
InChIKey GITQLUBCNIFZAP-UHFFFAOYSA-N
Molecular Weight 315.314 g/mol
SMILES C(C(NC1=NN=C(S1)C(F)(F)F)=O)C(C1=CC=CC=C1)C