-OEChem-06111213162D

 10 11  0     1  0  0  0  0  0999 V2000
    2.5800   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7600   -0.4800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -3.0300    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1000   -1.7400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1400   -4.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -3.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300   -2.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7200   -2.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
49760545

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20142310

> <PUBCHEM_SUBSTANCE_SYNONYM>
InChI=1/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H

> <PUBCHEM_XREF_EXT_ID>
20142310

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20142310

> <PUBCHEM_CID_ASSOCIATIONS>
8424  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$