![{5-[(6-chlorothymyl)oxy]pentyl}dimethyl(5-nitrofurfuryl)ammonium bromide](/api/spectrum/B4tkHkf1PdQ/structure.png?h=300&w=458 "{5-[(6-chlorothymyl)oxy]pentyl}dimethyl(5-nitrofurfuryl)ammonium bromide")
| SpectraBase Compound ID | FfqCXfZ8Cgk |
|---|---|
| InChI | InChI=1S/C22H32ClN2O4.BrH/c1-16(2)19-14-20(23)17(3)13-21(19)28-12-8-6-7-11-25(4,5)15-18-9-10-22(29-18)24(26)27;/h9-10,13-14,16H,6-8,11-12,15H2,1-5H3;1H/q+1;/p-1 |
| InChIKey | JMXPXEMJNXHDFH-UHFFFAOYSA-M |
| Mol Weight | 503.9 g/mol |
| Molecular Formula | C22H32BrClN2O4 |
| Exact Mass | 502.123398 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4tkHkf1PdQ |
|---|---|
| Name | {5-[(6-chlorothymyl)oxy]pentyl}dimethyl(5-nitrofurfuryl)ammonium bromide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32BrClN2O4 |
| InChI | InChI=1S/C22H32ClN2O4.BrH/c1-16(2)19-14-20(23)17(3)13-21(19)28-12-8-6-7-11-25(4,5)15-18-9-10-22(29-18)24(26)27;/h9-10,13-14,16H,6-8,11-12,15H2,1-5H3;1H/q+1;/p-1 |
| InChIKey | JMXPXEMJNXHDFH-UHFFFAOYSA-M |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 28825M |
| Solvent | Polysol |