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

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

1-Isobutyl-2-[(2-isopropyl-5-methyl-phenoxy)methyl]benzimidazole
SpectraBase Compound ID 94sQnfXRkiw
InChI InChI=1S/C22H28N2O/c1-15(2)13-24-20-9-7-6-8-19(20)23-22(24)14-25-21-12-17(5)10-11-18(21)16(3)4/h6-12,15-16H,13-14H2,1-5H3
InChIKey BSPMXVURHBDYLY-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 8q1UwUQW9Ju
Name 1-Isobutyl-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/c1-15(2)13-24-20-9-7-6-8-19(20)23-22(24)14-25-21-12-17(5)10-11-18(21)16(3)4/h6-12,15-16H,13-14H2,1-5H3
InChIKey BSPMXVURHBDYLY-UHFFFAOYSA-N
Molecular Weight 336.479 g/mol
SMILES C=1C=CC=2N(C(=NC2C1)COC1=C(C=CC(=C1)C)C(C)C)CC(C)C