| SpectraBase Compound ID | 5awExu8ok0n |
|---|---|
| InChI | InChI=1S/C7H7BrN4O2.C4H11NO2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(5,2-6)3-7/h1-2H3,(H,9,10);6-7H,2-3,5H2,1H3 |
| InChIKey | GYDSCURLNFEURE-UHFFFAOYSA-N |
| Mol Weight | 364.2 g/mol |
| Molecular Formula | C11H18BrN5O4 |
| Exact Mass | 363.054217 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7V5QTyefzGm |
|---|---|
| Name | 8-bromotheophylline, compound with 2-amino-2-methyl-1,3-propanediol(1.1) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H18BrN5O4 |
| InChI | InChI=1S/C7H7BrN4O2.C4H11NO2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(5,2-6)3-7/h1-2H3,(H,9,10);6-7H,2-3,5H2,1H3 |
| InChIKey | GYDSCURLNFEURE-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 27588M |
| Solvent | D2O/NaOD |