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1-(4-Fluorobenzyl)-2-[(2-isopropyl-5-methyl-phenoxy)methyl]benzimidazole
SpectraBase Compound ID JEcw5L7XOxN
InChI InChI=1S/C25H25FN2O/c1-17(2)21-13-8-18(3)14-24(21)29-16-25-27-22-6-4-5-7-23(22)28(25)15-19-9-11-20(26)12-10-19/h4-14,17H,15-16H2,1-3H3
InChIKey DJDMCVTVERCJCF-UHFFFAOYSA-N
Mol Weight 388.49 g/mol
Molecular Formula C25H25FN2O
Exact Mass 388.195092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlrA4EqNhPG
Name 1-(4-Fluorobenzyl)-2-[(2-isopropyl-5-methyl-phenoxy)methyl]benzimidazole
Comments Computed using HOSE algorithm
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Exact Mass 388.195091595 u
Formula C25H25FN2O
InChI InChI=1S/C25H25FN2O/c1-17(2)21-13-8-18(3)14-24(21)29-16-25-27-22-6-4-5-7-23(22)28(25)15-19-9-11-20(26)12-10-19/h4-14,17H,15-16H2,1-3H3
InChIKey DJDMCVTVERCJCF-UHFFFAOYSA-N
Molecular Weight 388.486 g/mol
SMILES C=1C=CC=2N(C(=NC2C1)COC1=C(C=CC(=C1)C)C(C)C)CC=1C=CC(=CC1)F