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1-{2-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carboxamido]ethyl}pyridinium bromide

View entire compound with spectra: 2 NMR, and 1 FTIR

1-{2-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carboxamido]ethyl}pyridinium bromide
SpectraBase Compound ID GC6lWviHH11
InChI InChI=1S/C18H15Cl2N3O2.BrH/c1-12-15(18(24)21-8-11-23-9-3-2-4-10-23)17(22-25-12)16-13(19)6-5-7-14(16)20;/h2-7,9-10H,8,11H2,1H3;1H
InChIKey MQQCBISVESFXRA-UHFFFAOYSA-N
Mol Weight 457.16 g/mol
Molecular Formula C18H16BrCl2N3O2
Exact Mass 454.980295 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GsBhcUj7kpO
Name 1-{2-{[3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]CARBOXAMIDO}ETHYL}PYRIDINIUM BROMIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16BrCl2N3O2
InChI InChI=1S/C18H15Cl2N3O2.BrH/c1-12-15(18(24)21-8-11-23-9-3-2-4-10-23)17(22-25-12)16-13(19)6-5-7-14(16)20;/h2-7,9-10H,8,11H2,1H3;1H
InChIKey MQQCBISVESFXRA-UHFFFAOYSA-N
Molecular Weight 457.16
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20