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3-(2,6-dichlorophenyl)-N-{2-[(2-imidazolin-2-yl)thio]ethyl]-5-methyl-4-isoxazolecarboxamide, monohydrobromide

View entire compound with spectra: 1 NMR, and 1 FTIR

3-(2,6-dichlorophenyl)-N-{2-[(2-imidazolin-2-yl)thio]ethyl]-5-methyl-4-isoxazolecarboxamide, monohydrobromide
SpectraBase Compound ID 4mfdcJi2OZA
InChI InChI=1S/C16H16Cl2N4O2S.BrH/c1-9-12(15(23)19-7-8-25-16-20-5-6-21-16)14(22-24-9)13-10(17)3-2-4-11(13)18;/h2-4H,5-8H2,1H3,(H,19,23)(H,20,21);1H
InChIKey DPCSUTNUFAXZKK-UHFFFAOYSA-N
Mol Weight 480.21 g/mol
Molecular Formula C16H17BrCl2N4O2S
Exact Mass 477.963265 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DvTJVvd8IzU
Name 3-(2,6-dichlorophenyl)-N-{2-[(2-imidazolin-2-yl)thio]ethyl]-5-methyl-4-isoxazolecarboxamide, monohydrobromide
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17BrCl2N4O2S
InChI InChI=1S/C16H16Cl2N4O2S.BrH/c1-9-12(15(23)19-7-8-25-16-20-5-6-21-16)14(22-24-9)13-10(17)3-2-4-11(13)18;/h2-4H,5-8H2,1H3,(H,19,23)(H,20,21);1H
InChIKey DPCSUTNUFAXZKK-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 46535M
Solvent DMSO-d6