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2-(Benzylthio)-1-phenethyl-5-(trifluoromethyl)benzimidazole

View entire compound with spectra: 2 NMR, 2 FTIR, and 1 UV-Vis

2-(Benzylthio)-1-phenethyl-5-(trifluoromethyl)benzimidazole
SpectraBase Compound ID 6OzivaLJaND
InChI InChI=1S/C23H19F3N2S/c24-23(25,26)19-11-12-21-20(15-19)27-22(29-16-18-9-5-2-6-10-18)28(21)14-13-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2
InChIKey CEJBTHKJTUSYFP-UHFFFAOYSA-N
Mol Weight 412.47 g/mol
Molecular Formula C23H19F3N2S
Exact Mass 412.122104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 68NVf2rIsHi
Name 2-(Benzylthio)-1-phenethyl-5-(trifluoromethyl)benzimidazole
Comments Computed using HOSE algorithm
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Exact Mass 412.122104283 u
Formula C23H19F3N2S
InChI InChI=1S/C23H19F3N2S/c24-23(25,26)19-11-12-21-20(15-19)27-22(29-16-18-9-5-2-6-10-18)28(21)14-13-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2
InChIKey CEJBTHKJTUSYFP-UHFFFAOYSA-N
Molecular Weight 412.474 g/mol
SMILES C(F)(F)(F)C=1C=CC2=C(C1)N=C(N2CCC=1C=CC=CC1)SCC=1C=CC=CC1