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5-({4-[(4-fluorobenzyl)oxy]-3-methoxybenzyl}amino)-1,3-dihydro-2H-benzimidazol-2-one
SpectraBase Compound ID 6MdyerYcuog
InChI InChI=1S/C22H20FN3O3/c1-28-21-10-15(4-9-20(21)29-13-14-2-5-16(23)6-3-14)12-24-17-7-8-18-19(11-17)26-22(27)25-18/h2-11,24H,12-13H2,1H3,(H2,25,26,27)
InChIKey QSQCDOVULPPOKR-UHFFFAOYSA-N
Mol Weight 393.42 g/mol
Molecular Formula C22H20FN3O3
Exact Mass 393.14887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0Ng9EuZKFr
Name 5-({4-[(4-Fluorobenzyl)oxy]-3-methoxybenzyl}amino)-1,3-dihydro-2H-benzimidazol-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.148869676 u
Formula C22H20FN3O3
InChI InChI=1S/C22H20FN3O3/c1-28-21-10-15(4-9-20(21)29-13-14-2-5-16(23)6-3-14)12-24-17-7-8-18-19(11-17)26-22(27)25-18/h2-11,24H,12-13H2,1H3,(H2,25,26,27)
InChIKey QSQCDOVULPPOKR-UHFFFAOYSA-N
Molecular Weight 393.418 g/mol
SMILES N1C2=CC(NCC3=CC(OC)=C(C=C3)OCC3=CC=C(C=C3)F)=CC=C2NC1=O