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5-({3-bromo-4-[(4-fluorobenzyl)oxy]-5-methoxybenzyl}amino)-1,3-dihydro-2H-benzimidazol-2-one
SpectraBase Compound ID C58wt7S9IWj
InChI InChI=1S/C22H19BrFN3O3/c1-29-20-9-14(11-25-16-6-7-18-19(10-16)27-22(28)26-18)8-17(23)21(20)30-12-13-2-4-15(24)5-3-13/h2-10,25H,11-12H2,1H3,(H2,26,27,28)
InChIKey XXUKPHMLMUOAGA-UHFFFAOYSA-N
Mol Weight 472.31 g/mol
Molecular Formula C22H19BrFN3O3
Exact Mass 471.059383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IlUBQ7tf4fP
Name 5-({3-bromo-4-[(4-fluorobenzyl)oxy]-5-methoxybenzyl}amino)-1,3-dihydro-2H-benzimidazol-2-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H19BrFN3O3/c1-29-20-9-14(11-25-16-6-7-18-19(10-16)27-22(28)26-18)8-17(23)21(20)30-12-13-2-4-15(24)5-3-13/h2-10,25H,11-12H2,1H3,(H2,26,27,28)
InChIKey XXUKPHMLMUOAGA-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35420
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: E90994; SBI_ID: SBI-035424
Temperature 308 °C