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1-[2-(4-Bromo-4'-fluorobenzhydryloxy)ethyl]-4-{3-[2-(4-bromo-4'-fluorobenzhydryloxy)ethyl]-2-oxobenzimidazolin-1-yl}-1,2,3,6-tetrahydropyridine

View entire compound with spectra: 2 NMR

1-[2-(4-Bromo-4'-fluorobenzhydryloxy)ethyl]-4-{3-[2-(4-bromo-4'-fluorobenzhydryloxy)ethyl]-2-oxobenzimidazolin-1-yl}-1,2,3,6-tetrahydropyridine
SpectraBase Compound ID DxoM2okdhR0
InChI InChI=1S/C42H37Br2F2N3O3/c43-33-13-5-29(6-14-33)40(31-9-17-35(45)18-10-31)51-27-25-47-23-21-37(22-24-47)49-39-4-2-1-3-38(39)48(42(49)50)26-28-52-41(30-7-15-34(44)16-8-30)32-11-19-36(46)20-12-32/h1-21,40-41H,22-28H2
InChIKey YKGVTHZCISQYKY-UHFFFAOYSA-N
Mol Weight 829.6 g/mol
Molecular Formula C42H37Br2F2N3O3
Exact Mass 827.116974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2mNYoukZ0B
Name 1-[2-(4-Bromo-4'-fluorobenzhydryloxy)ethyl]-4-{3-[2-(4-bromo-4'-fluorobenzhydryloxy)ethyl]-2-oxobenzimidazolin-1-yl}-1,2,3,6-tetrahydropyridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 827.116974386 u
Formula C42H37Br2F2N3O3
InChI InChI=1S/C42H37Br2F2N3O3/c43-33-13-5-29(6-14-33)40(31-9-17-35(45)18-10-31)51-27-25-47-23-21-37(22-24-47)49-39-4-2-1-3-38(39)48(42(49)50)26-28-52-41(30-7-15-34(44)16-8-30)32-11-19-36(46)20-12-32/h1-21,40-41H,22-28H2
InChIKey YKGVTHZCISQYKY-UHFFFAOYSA-N
Molecular Weight 829.581 g/mol
SMILES c1c2c(N(C(N2CCOC(c2ccc(cc2)F)c2ccc(cc2)Br)=O)C=2CCN(CC2)CCOC(c2ccc(cc2)Br)c2ccc(cc2)F)ccc1