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8-bromotheophylline, compd. with butylamine (1:1)
SpectraBase Compound ID 6EoCoxCcCDN
InChI InChI=1S/C7H7BrN4O2.C4H11N/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-2-3-4-5/h1-2H3,(H,9,10);2-5H2,1H3
InChIKey WEOWJDGPYDHMRC-UHFFFAOYSA-N
Mol Weight 332.2 g/mol
Molecular Formula C11H18BrN5O2
Exact Mass 331.064388 g/mol

Ultraviolet-Visible (UV-Vis) Spectrum

Ultraviolet-Visible (UV-Vis) Spectrum

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SpectraBase Spectrum ID Bv48n4S3T7m
Name 8-bromotheophylline, compd. with butylamine
Conditions Neutral
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Formula C11H18BrN5O2
InChI InChI=1S/C7H7BrN4O2.C4H11N/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-2-3-4-5/h1-2H3,(H,9,10);2-5H2,1H3
InChIKey WEOWJDGPYDHMRC-UHFFFAOYSA-N
Sadtler IR Number 9557
Sadtler UV Number 15887N
Solvent Methanol