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2-[(2-Isopropyl-5-methyl-phenoxy)methyl]-1-(4-propoxybenzyl)benzimidazole

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

2-[(2-Isopropyl-5-methyl-phenoxy)methyl]-1-(4-propoxybenzyl)benzimidazole
SpectraBase Compound ID IVxIw3UeTFc
InChI InChI=1S/C28H32N2O2/c1-5-16-31-23-13-11-22(12-14-23)18-30-26-9-7-6-8-25(26)29-28(30)19-32-27-17-21(4)10-15-24(27)20(2)3/h6-15,17,20H,5,16,18-19H2,1-4H3
InChIKey HFEZWVRUYVVQHM-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C28H32N2O2
Exact Mass 428.246378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HrwdEbbqRoU
Name 2-[(2-Isopropyl-5-methyl-phenoxy)methyl]-1-(4-propoxybenzyl)benzimidazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.246378276 u
Formula C28H32N2O2
InChI InChI=1S/C28H32N2O2/c1-5-16-31-23-13-11-22(12-14-23)18-30-26-9-7-6-8-25(26)29-28(30)19-32-27-17-21(4)10-15-24(27)20(2)3/h6-15,17,20H,5,16,18-19H2,1-4H3
InChIKey HFEZWVRUYVVQHM-UHFFFAOYSA-N
Molecular Weight 428.576 g/mol
SMILES CCCOC1=CC=C(CN2C(=NC=3C2=CC=CC3)COC=2C(=CC=C(C2)C)C(C)C)C=C1