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

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

8-bromotheophylline, compd. with benzylamine (1:1)
SpectraBase Compound ID FWq0KYED3lt
InChI InChI=1S/C7H7BrN4O2.C7H9N/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;8-6-7-4-2-1-3-5-7/h1-2H3,(H,9,10);1-5H,6,8H2
InChIKey CWPFMYLMWJWISH-UHFFFAOYSA-N
Mol Weight 366.22 g/mol
Molecular Formula C14H16BrN5O2
Exact Mass 365.048738 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 51rcZuDswQU
Name 8-BROMOTHEOPHYLLINE, COMPOUND WITH BENZYLAMINE (1:1)
Source of Sample The Chattanooga Medicine Company, Tennessee
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16BrN5O2
InChI InChI=1S/C7H7BrN4O2.C7H9N/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;8-6-7-4-2-1-3-5-7/h1-2H3,(H,9,10);1-5H,6,8H2
InChIKey CWPFMYLMWJWISH-UHFFFAOYSA-N
Melting Point 78C
Molecular Weight 366.225006
Synonyms THEOPHYLLINE, 8-BROMO-, COMPD WITH BENZYLAMINE
Technique KBr WAFER