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1-Butyl-2-[(2-isopropyl-5-methyl-phenoxy)methyl]benzimidazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-Butyl-2-[(2-isopropyl-5-methyl-phenoxy)methyl]benzimidazole
SpectraBase Compound ID KHnHdBQ8EQE
InChI InChI=1S/C22H28N2O/c1-5-6-13-24-20-10-8-7-9-19(20)23-22(24)15-25-21-14-17(4)11-12-18(21)16(2)3/h7-12,14,16H,5-6,13,15H2,1-4H3
InChIKey XGRMWLKXNYHONP-UHFFFAOYSA-N
Mol Weight 336.48 g/mol
Molecular Formula C22H28N2O
Exact Mass 336.220164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlddGgNNLMr
Name 1-Butyl-2-[(2-isopropyl-5-methyl-phenoxy)methyl]benzimidazole
Comments Computed using HOSE algorithm
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Exact Mass 336.220163529 u
Formula C22H28N2O
InChI InChI=1S/C22H28N2O/c1-5-6-13-24-20-10-8-7-9-19(20)23-22(24)15-25-21-14-17(4)11-12-18(21)16(2)3/h7-12,14,16H,5-6,13,15H2,1-4H3
InChIKey XGRMWLKXNYHONP-UHFFFAOYSA-N
Molecular Weight 336.479 g/mol
SMILES C1(=NC2=CC=CC=C2N1CCCC)COC1=C(C=CC(=C1)C)C(C)C