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2-(5-bromo-4-{[(2-hydroxy-1,1-dimethylethyl)amino]methyl}-2-methoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID jrgHG1jxtu
InChI InChI=1S/C21H24BrF3N2O4/c1-20(2,12-28)26-10-13-7-17(30-3)18(9-16(13)22)31-11-19(29)27-15-6-4-5-14(8-15)21(23,24)25/h4-9,26,28H,10-12H2,1-3H3,(H,27,29)
InChIKey WNSUMOLDWDJUDJ-UHFFFAOYSA-N
Mol Weight 505.33 g/mol
Molecular Formula C21H24BrF3N2O4
Exact Mass 504.087155 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AHf0UcAP2GK
Name 2-(5-bromo-4-{[(2-hydroxy-1,1-dimethylethyl)amino]methyl}-2-methoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
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/C21H24BrF3N2O4/c1-20(2,12-28)26-10-13-7-17(30-3)18(9-16(13)22)31-11-19(29)27-15-6-4-5-14(8-15)21(23,24)25/h4-9,26,28H,10-12H2,1-3H3,(H,27,29)
InChIKey WNSUMOLDWDJUDJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32019
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: 1844473; SBI_ID: SBI-032023
Temperature 318 °C