SpectraBase Compound ID | 7vuXnAqNSzo |
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InChI | InChI=1S/C7H7BrN4O2.C6H8N2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-5-2-3-8-6(7)4-5/h1-2H3,(H,9,10);2-4H,1H3,(H2,7,8) |
InChIKey | UORSVKPXMKVPHL-UHFFFAOYSA-N |
Mol Weight | 367.21 g/mol |
Molecular Formula | C13H15BrN6O2 |
Exact Mass | 366.043987 g/mol |
SpectraBase Spectrum ID | 3cZEXGB5VDu |
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Name | 8-bromotheophylline, compd. with 2-amino-4-picoline (1:1) |
Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C13H15BrN6O2 |
InChI | InChI=1S/C7H7BrN4O2.C6H8N2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-5-2-3-8-6(7)4-5/h1-2H3,(H,9,10);2-4H,1H3,(H2,7,8) |
InChIKey | UORSVKPXMKVPHL-UHFFFAOYSA-N |
Instrument Name | Varian A-60 |
Sadtler NMR Number | 9061M |
Sadtler Reference Number | 9061 |
Solvent | DMSO-d6 |