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8-bromotheophylline, compd. with butylamine (1:1)

View entire compound with spectra: 2 NMR, and 1 UV-Vis

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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HqCM4E74DcT
Name 8-BROMOTHEOPHYLLINE COMPOUND WITH BUTYLAMINE (1:1)
Source of Sample The Chattanooga Medicine Company, Chattanooga, Tennessee
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7BrN4O2 C4H11N
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
Melting Point 295C
Molecular Weight 332.21
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms THEOPHYLLINE, 8-BROMO-, COMPOUND WITH BUTYLAMINE