-ISIS-  05031710462D

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.9792   -6.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792   -7.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -7.6000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.5875   -7.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -6.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708   -7.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0208   -6.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4708   -5.9208    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.7792   -4.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1750   -7.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542   -5.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -8.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  2  0  0  0  0
  2 11  2  0  0  0  0
  9 12  1  0  0  0  0
  3 13  1  0  0  0  0
M  END
>  <Catalog No.>
CFN99737

>  <Name>
Theobromine

>  <CAS Number>
83-67-0

>  <Purity>
98%

>  <Formula>
C7H8N4O2

>  <Mol Weight>
180.16

>  <Physical Description>
Powder

>  <Type of Compound>
Alkaloids

>  <Solvent>
Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.

>  <WebLink>
http://www.chemfaces.com/natural/Theobromine-CFN99737.html

$$$$