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8-bromotheophylline, compd. with 2-amino-4-picoline (1:1)
SpectraBase Compound ID 7vuXnAqNSzo
InChI InChI=1S/C7H7BrN4O2.C6H8N2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-5-2-3-8-6(7)4-5/h1-2H3,(H,9,10);2-4H,1H3,(H2,7,8)
InChIKey UORSVKPXMKVPHL-UHFFFAOYSA-N
Mol Weight 367.21 g/mol
Molecular Formula C13H15BrN6O2
Exact Mass 366.043987 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9OtuT4MelUd
Name 8-BROMOTHEOPHYLLINE, COMPOUND WITH 2-AMINO-4-PICOLINE (1:1)
Source of Sample The Chattanooga Medicine Company, Tennessee
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15BrN6O2
InChI InChI=1S/C7H7BrN4O2.C6H8N2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-5-2-3-8-6(7)4-5/h1-2H3,(H,9,10);2-4H,1H3,(H2,7,8)
InChIKey UORSVKPXMKVPHL-UHFFFAOYSA-N
Literature Reference JPSC 44, 355(1955)
Melting Point 280C
Molecular Weight 367.213013
Synonyms THEOPHYLLINE, 8-BROMO-, COMPD WITH 2-AMINO-4-METHYL PYRIDINE
Technique KBr WAFER