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N-{4-[2-(benzylamino)-2-oxoethoxy]-3-bromo-5-methoxybenzyl}-1-phenylethanaminium chloride
SpectraBase Compound ID 4oyyBIrUdL3
InChI InChI=1S/C25H27BrN2O3.ClH/c1-18(21-11-7-4-8-12-21)27-16-20-13-22(26)25(23(14-20)30-2)31-17-24(29)28-15-19-9-5-3-6-10-19;/h3-14,18,27H,15-17H2,1-2H3,(H,28,29);1H
InChIKey SWKZEXLQKTVBIY-UHFFFAOYSA-N
Mol Weight 519.87 g/mol
Molecular Formula C25H28BrClN2O3
Exact Mass 518.097183 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C82dEaeuLXk
Name N-{4-[2-(benzylamino)-2-oxoethoxy]-3-bromo-5-methoxybenzyl}-1-phenylethanaminium chloride
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/C25H27BrN2O3.ClH/c1-18(21-11-7-4-8-12-21)27-16-20-13-22(26)25(23(14-20)30-2)31-17-24(29)28-15-19-9-5-3-6-10-19;/h3-14,18,27H,15-17H2,1-2H3,(H,28,29);1H
InChIKey SWKZEXLQKTVBIY-UHFFFAOYSA-N
NMR Offset 17.9102
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31585
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: 1843055; SBI_ID: SBI-031589
Temperature 303 °C