Bio-Rad Laboratories, Inc. SpectraBase; SpectraBase Compound ID=b50ZeFZXT SpectraBase Spectrum ID=friWmnJHtJ
http://spectrabase.com/spectrum/friWmnJHtJ (accessed Aug 26, 2019).

8-BROMOTHEOPHYLLINE, COMPOUND WITH DIETHYLENETRIAMINE (2:1)
SpectraBase Compound ID b50ZeFZXT
InChI InChI=1S/2C7H7BrN4O2.C4H13N3/c2*1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;5-1-3-7-4-2-6/h2*1-2H3,(H,9,10);7H,1-6H2
InChIKey ISTMTZQNXQUBDT-UHFFFAOYSA-N
Mol Weight 621.29 g/mol
Molecular Formula C18H27Br2N11O4
Exact Mass 619.061421 g/mol

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID friWmnJHtJ
SpectraBase Batch ID CDzLFnCv7Dm
Name 8-BROMOTHEOPHYLLINE, COMPOUND WITH DIETHYLENETRIAMINE (2:1)
Source of Sample The Chattanooga Medicine Company, Tennessee
Copyright Copyright © 1980, 1981-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.
Formula C18H27Br2N11O4
InChI InChI=1S/2C7H7BrN4O2.C4H13N3/c2*1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;5-1-3-7-4-2-6/h2*1-2H3,(H,9,10);7H,1-6H2
InChIKey ISTMTZQNXQUBDT-UHFFFAOYSA-N
Literature Reference JPSC 44, 355(1955)
Melting Point 140-160C
Molecular Weight 621.307007
Synonyms THEOPHYLLINE, 8-BROMO-, COMPD WITH DIETHYLENETRIAMINE
Technique KBr WAFER