![6-bromo-3-butyl-7-hydroxy-8-{[4-(2-hydroxyethyl)-1-piperazinyl]methyl}-4-methylcoumarin](/api/spectrum/BRzfroJCLc/structure.png?h=300&w=458 "6-bromo-3-butyl-7-hydroxy-8-{[4-(2-hydroxyethyl)-1-piperazinyl]methyl}-4-methylcoumarin")
| SpectraBase Compound ID | Gxxd4c4Cp37 |
|---|---|
| InChI | InChI=1S/C21H29BrN2O4/c1-3-4-5-15-14(2)16-12-18(22)19(26)17(20(16)28-21(15)27)13-24-8-6-23(7-9-24)10-11-25/h12,25-26H,3-11,13H2,1-2H3 |
| InChIKey | QATJSBAUEHWAID-UHFFFAOYSA-N |
| Mol Weight | 453.38 g/mol |
| Molecular Formula | C21H29BrN2O4 |
| Exact Mass | 452.13107 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRzfroJCLc |
|---|---|
| Name | 6-bromo-3-butyl-7-hydroxy-8-{[4-(2-hydroxyethyl)-1-piperazinyl]methyl}-4-methylcoumarin |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H29BrN2O4 |
| InChI | InChI=1S/C21H29BrN2O4/c1-3-4-5-15-14(2)16-12-18(22)19(26)17(20(16)28-21(15)27)13-24-8-6-23(7-9-24)10-11-25/h12,25-26H,3-11,13H2,1-2H3 |
| InChIKey | QATJSBAUEHWAID-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 52696M |
| Solvent | CDCl3 |