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N-{3-bromo-5-methoxy-4-[2-oxo-2-(2-toluidino)ethoxy]benzyl}-2-phenylethanaminium chloride
SpectraBase Compound ID 8Bp26PIRCDe
InChI InChI=1S/C25H27BrN2O3.ClH/c1-18-8-6-7-11-22(18)28-24(29)17-31-25-21(26)14-20(15-23(25)30-2)16-27-13-12-19-9-4-3-5-10-19;/h3-11,14-15,27H,12-13,16-17H2,1-2H3,(H,28,29);1H
InChIKey DKQAGFHLIKBKDK-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 FuY4SZo1LVc
Name N-{3-bromo-5-methoxy-4-[2-oxo-2-(2-toluidino)ethoxy]benzyl}-2-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/c1-18-8-6-7-11-22(18)28-24(29)17-31-25-21(26)14-20(15-23(25)30-2)16-27-13-12-19-9-4-3-5-10-19;/h3-11,14-15,27H,12-13,16-17H2,1-2H3,(H,28,29);1H
InChIKey DKQAGFHLIKBKDK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31632
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: 1843128; SBI_ID: SBI-031636
Temperature 308 °C