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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lck1zhQugBk
Name 8-BROMOTHEOPHYLLINE, COMPOUND WITH 2-AMINO-2-METHYL-1-PROPANOL (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 C4H11NO
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
Melting Point 295C
Molecular Weight 348.21
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms THEOPHYLLINE, 8-BROMO-, COMPOUND WITH 2-AMINO-2-METHYL-1-PROPANOL