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8-bromotheophylline

View entire compound with spectra: 1 NMR, 2 FTIR, 1 UV-Vis, and 1 MS (GC)

8-bromotheophylline
SpectraBase Compound ID AMWDGLtRzvu
InChI InChI=1S/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
InChIKey SKTFQHRVFFOHTQ-UHFFFAOYSA-N
Mol Weight 259.06 g/mol
Molecular Formula C7H7BrN4O2
Exact Mass 257.975238 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3b6diluNhuF
Name 8-BROMOTHEOPHYLLINE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7BrN4O2
InChI InChI=1S/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
InChIKey SKTFQHRVFFOHTQ-UHFFFAOYSA-N
Molecular Weight 259.08
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms THEOPHYLLINE, 8-BROMO-,