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2-{2-bromo-4-[(butylamino)methyl]-6-methoxyphenoxy}-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID ewgE8uYxkM
InChI InChI=1S/C21H24BrF3N2O3/c1-3-4-8-26-12-14-9-17(22)20(18(10-14)29-2)30-13-19(28)27-16-7-5-6-15(11-16)21(23,24)25/h5-7,9-11,26H,3-4,8,12-13H2,1-2H3,(H,27,28)
InChIKey XTBCVZVRNZDHOC-UHFFFAOYSA-N
Mol Weight 489.33 g/mol
Molecular Formula C21H24BrF3N2O3
Exact Mass 488.09224 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BoWoUazcikX
Name 2-{2-bromo-4-[(butylamino)methyl]-6-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/C21H24BrF3N2O3/c1-3-4-8-26-12-14-9-17(22)20(18(10-14)29-2)30-13-19(28)27-16-7-5-6-15(11-16)21(23,24)25/h5-7,9-11,26H,3-4,8,12-13H2,1-2H3,(H,27,28)
InChIKey XTBCVZVRNZDHOC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31551
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: 1843006; SBI_ID: SBI-031555
Temperature 318 °C