SpectraBase Compound ID | 1oZ4Lt4WEEu |
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InChI | InChI=1S/C7H7BrN4O2.C2H7NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;3-1-2-4/h1-2H3,(H,9,10);4H,1-3H2 |
InChIKey | KYRDZSYYYBDVAX-UHFFFAOYSA-N |
Mol Weight | 320.15 g/mol |
Molecular Formula | C9H14BrN5O3 |
Exact Mass | 319.028002 g/mol |
SpectraBase Spectrum ID | GflHdjIsZSf |
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Name | 8-bromotheophylline, compd.with 2-aminoethanol |
Conditions | Neutral |
Copyright | Copyright © 2008-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C9H14BrN5O3 |
InChI | InChI=1S/C7H7BrN4O2.C2H7NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;3-1-2-4/h1-2H3,(H,9,10);4H,1-3H2 |
InChIKey | KYRDZSYYYBDVAX-UHFFFAOYSA-N |
Sadtler IR Number | 9560 |
Sadtler UV Number | 15889N |
Solvent | Methanol |