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N-{4-[2-(benzylamino)-2-oxoethoxy]-2-bromo-5-methoxybenzyl}-2-methyl-1-propanaminium chloride
SpectraBase Compound ID NYgF2aWXse
InChI InChI=1S/C21H27BrN2O3.ClH/c1-15(2)11-23-13-17-9-19(26-3)20(10-18(17)22)27-14-21(25)24-12-16-7-5-4-6-8-16;/h4-10,15,23H,11-14H2,1-3H3,(H,24,25);1H
InChIKey JWRSCQRJWWYURM-UHFFFAOYSA-N
Mol Weight 471.82 g/mol
Molecular Formula C21H28BrClN2O3
Exact Mass 470.097183 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1wYKa2SdHyQ
Name N-{4-[2-(benzylamino)-2-oxoethoxy]-2-bromo-5-methoxybenzyl}-2-methyl-1-propanaminium 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/C21H27BrN2O3.ClH/c1-15(2)11-23-13-17-9-19(26-3)20(10-18(17)22)27-14-21(25)24-12-16-7-5-4-6-8-16;/h4-10,15,23H,11-14H2,1-3H3,(H,24,25);1H
InChIKey JWRSCQRJWWYURM-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30913
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: 1728050; SBI_ID: SBI-030917
Temperature 306 °C