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8-bromotheophylline, compd. with 2-amino-2-methyl-1-propanol (1:1)
SpectraBase Compound ID 7jm8fDqBMsn
InChI InChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3
InChIKey ATOTUUBRFJHZQG-UHFFFAOYSA-N
Mol Weight 348.2 g/mol
Molecular Formula C11H18BrN5O3
Exact Mass 347.059302 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2JTWyVjbOQw
Name 8-bromotheophylline, compd. with 2-amino-2-methyl-1-propanol (1:1)
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18BrN5O3
InChI InChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3
InChIKey ATOTUUBRFJHZQG-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 9060M
Sadtler Reference Number 9060
Solvent DMSO-d6