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1H-benzimidazole, 2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-
SpectraBase Compound ID 1ZdaDwe8zEL
InChI InChI=1S/C18H13F3N4O/c19-18(20,21)12-5-3-4-11(10-12)17-24-16(26-25-17)9-8-15-22-13-6-1-2-7-14(13)23-15/h1-7,10H,8-9H2,(H,22,23)
InChIKey VZGWHEBRXLUXET-UHFFFAOYSA-N
Mol Weight 358.32 g/mol
Molecular Formula C18H13F3N4O
Exact Mass 358.104146 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZANZOAEeEc
Name 1H-Benzimidazole, 2-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-
Comments Computed using HOSE algorithm
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Exact Mass 358.104145543 u
Formula C18H13F3N4O
InChI InChI=1S/C18H13F3N4O/c19-18(20,21)12-5-3-4-11(10-12)17-24-16(26-25-17)9-8-15-22-13-6-1-2-7-14(13)23-15/h1-7,10H,8-9H2,(H,22,23)
InChIKey VZGWHEBRXLUXET-UHFFFAOYSA-N
Molecular Weight 358.324 g/mol
SMILES N1C=2C=CC=CC2N=C1CCC1=NC(=NO1)C1=CC(C(F)(F)F)=CC=C1