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N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
SpectraBase Compound ID 2KRaGSa6Zbn
InChI InChI=1S/C14H14F3N3OS/c1-13(2,3)9-6-4-8(5-7-9)10-19-20-12(22-10)18-11(21)14(15,16)17/h4-7H,1-3H3,(H,18,20,21)
InChIKey AWYODRRVSLTZSS-UHFFFAOYSA-N
Mol Weight 329.34 g/mol
Molecular Formula C14H14F3N3OS
Exact Mass 329.080968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTS1CPzSkDZ
Name N-[5-(4-Tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
Comments Computed using HOSE algorithm
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Exact Mass 329.080967745 u
Formula C14H14F3N3OS
InChI InChI=1S/C14H14F3N3OS/c1-13(2,3)9-6-4-8(5-7-9)10-19-20-12(22-10)18-11(21)14(15,16)17/h4-7H,1-3H3,(H,18,20,21)
InChIKey AWYODRRVSLTZSS-UHFFFAOYSA-N
Molecular Weight 329.341 g/mol
SMILES N(C=1SC(=NN1)C=1C=CC(C(C)(C)C)=CC1)C(C(F)(F)F)=O