![{4-[(6-chlorothymyl)oxy]butyl}dimethyl(5-nitrofurfuryl)ammonium bromide](/api/spectrum/5pN6pclPIz0/structure.png?h=300&w=458 "{4-[(6-chlorothymyl)oxy]butyl}dimethyl(5-nitrofurfuryl)ammonium bromide")
| SpectraBase Compound ID | D8MV9YjsS0S |
|---|---|
| InChI | InChI=1S/C21H30ClN2O4.BrH/c1-15(2)18-13-19(22)16(3)12-20(18)27-11-7-6-10-24(4,5)14-17-8-9-21(28-17)23(25)26;/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3;1H/q+1;/p-1 |
| InChIKey | JSUYRNUGISWJMY-UHFFFAOYSA-M |
| Mol Weight | 489.84 g/mol |
| Molecular Formula | C21H30BrClN2O4 |
| Exact Mass | 488.107748 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5pN6pclPIz0 |
|---|---|
| Name | {4-[(6-chlorothymyl)oxy]butyl}dimethyl(5-nitrofurfuryl)ammonium bromide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30BrClN2O4 |
| InChI | InChI=1S/C21H30ClN2O4.BrH/c1-15(2)18-13-19(22)16(3)12-20(18)27-11-7-6-10-24(4,5)14-17-8-9-21(28-17)23(25)26;/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3;1H/q+1;/p-1 |
| InChIKey | JSUYRNUGISWJMY-UHFFFAOYSA-M |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 28824M |
| Solvent | Polysol |