| SpectraBase Compound ID | 7jm8fDqBMsn |
|---|---|
| InChI | InChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3 |
| InChIKey | ATOTUUBRFJHZQG-UHFFFAOYSA-N |
| Mol Weight | 348.2 g/mol |
| Molecular Formula | C11H18BrN5O3 |
| Exact Mass | 347.059302 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2JTWyVjbOQw |
|---|---|
| Name | 8-bromotheophylline, compd. with 2-amino-2-methyl-1-propanol (1:1) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H18BrN5O3 |
| InChI | InChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3 |
| InChIKey | ATOTUUBRFJHZQG-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 9060M |
| Sadtler Reference Number | 9060 |
| Solvent | DMSO-d6 |