-OEChem-12051111272D

 11 12  0     0  0  0  0  0  0999 V2000
    4.3000   -0.2300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3000   -2.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -0.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500   -1.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0300   -0.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0300   -1.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0800    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0800   -2.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  2  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
49760120

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20132890

> <PUBCHEM_SUBSTANCE_SYNONYM>
InChI=1/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11

> <PUBCHEM_XREF_EXT_ID>
20132890

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nmrshiftdb.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20132890

> <PUBCHEM_CID_ASSOCIATIONS>
675  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$