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1H-1,3-Benzimidazole, 1-[(2,4-dichlorophenyl)methyl]-2-[[4-(1,1-dimethylethyl)phenoxy]methyl]-
SpectraBase Compound ID BKFX7vFu45j
InChI InChI=1S/C25H24Cl2N2O/c1-25(2,3)18-9-12-20(13-10-18)30-16-24-28-22-6-4-5-7-23(22)29(24)15-17-8-11-19(26)14-21(17)27/h4-14H,15-16H2,1-3H3
InChIKey HTOGRFXRJIVNRB-UHFFFAOYSA-N
Mol Weight 439.39 g/mol
Molecular Formula C25H24Cl2N2O
Exact Mass 438.126569 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8wFfVvCthOK
Name 1H-1,3-Benzimidazole, 1-[(2,4-dichlorophenyl)methyl]-2-[[4-(1,1-dimethylethyl)phenoxy]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.126568800 u
Formula C25H24Cl2N2O
InChI InChI=1S/C25H24Cl2N2O/c1-25(2,3)18-9-12-20(13-10-18)30-16-24-28-22-6-4-5-7-23(22)29(24)15-17-8-11-19(26)14-21(17)27/h4-14H,15-16H2,1-3H3
InChIKey HTOGRFXRJIVNRB-UHFFFAOYSA-N
Molecular Weight 439.386 g/mol
SMILES C1(=CC(=CC=C1CN1C=2C=CC=CC2N=C1COC=1C=CC(=CC1)C(C)(C)C)Cl)Cl