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8-bromotheophylline, compound with 2-amino-2-methyl-1,3-propanediol(1.1)
SpectraBase Compound ID 5awExu8ok0n
InChI InChI=1S/C7H7BrN4O2.C4H11NO2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(5,2-6)3-7/h1-2H3,(H,9,10);6-7H,2-3,5H2,1H3
InChIKey GYDSCURLNFEURE-UHFFFAOYSA-N
Mol Weight 364.2 g/mol
Molecular Formula C11H18BrN5O4
Exact Mass 363.054217 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5HYFjgCzADg
Name 8-BROMOTHEOPHYLLINE, COMPOUND WITH 2-AMINO-2-METHYL-1,3-PROPANEDIOL (1:1)
Source of Sample The Chattanooga Medicine Company, Tennessee
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18BrN5O4
InChI InChI=1S/C7H7BrN4O2.C4H11NO2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(5,2-6)3-7/h1-2H3,(H,9,10);6-7H,2-3,5H2,1H3
InChIKey GYDSCURLNFEURE-UHFFFAOYSA-N
Literature Reference JPSC 44, 355(1955)
Melting Point 140-160C
Molecular Weight 364.205994
Synonyms THEOPHYLLINE, 8-BROMO-, COMPD WITH 2-AMINO-2-METHYL-1,3-PROPANEDIOL
Technique KBr WAFER