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Pyridin-2-yl-[1-[4-(trifluoromethyl)-phenyl]-1H-1,2,3-triazol-4-yl]-methylacetate
SpectraBase Compound ID HDnSqPrraA9
InChI InChI=1S/C17H13F3N4O2/c1-11(25)26-16(14-4-2-3-9-21-14)15-10-24(23-22-15)13-7-5-12(6-8-13)17(18,19)20/h2-10,16H,1H3
InChIKey BSWIBWPIGDZOTB-UHFFFAOYSA-N
Mol Weight 362.31 g/mol
Molecular Formula C17H13F3N4O2
Exact Mass 362.09906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KmvYgXHARD
Name Pyridin-2-yl-[1-[4-(trifluoromethyl)-phenyl]-1H-1,2,3-triazol-4-yl]-methylacetate
Comments Computed using HOSE algorithm
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Exact Mass 362.099060162 u
Formula C17H13F3N4O2
InChI InChI=1S/C17H13F3N4O2/c1-11(25)26-16(14-4-2-3-9-21-14)15-10-24(23-22-15)13-7-5-12(6-8-13)17(18,19)20/h2-10,16H,1H3
InChIKey BSWIBWPIGDZOTB-UHFFFAOYSA-N
Molecular Weight 362.312 g/mol
SMILES C=1N(N=NC1C(C1=CC=CC=N1)OC(=O)C)C1=CC=C(C=C1)C(F)(F)F