![1-{2-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carboxamido]ethyl}pyridinium bromide](/api/spectrum/C5wxfYvlVA9/structure.png?h=300&w=458 "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 |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C5wxfYvlVA9 |
|---|---|
| Name | 1-{2-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carboxamido]ethyl}pyridinium bromide |
| Copyright | Copyright © 2009-2024 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 |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46531M |
| Solvent | DMSO-d6 |