-OEChem-09211013213D

  5  4  0     0  0  0  0  0  0999 V2000
    0.0021   -0.0041    0.0020 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0178    1.4648    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7126   -0.4907    1.1921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3761   -0.5125    0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897   -0.4778   -1.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_SUBSTANCE_ID>
8002308

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20045262

> <PUBCHEM_SUBSTANCE_SYNONYM>
75-58-1
InChI=1/C4H12N/c1-5(2,3)4/h1-4H3/q+

> <PUBCHEM_GENERIC_REGISTRY_NAME>
75-58-1

> <PUBCHEM_XREF_EXT_ID>
20045262

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20045262

> <PUBCHEM_CID_ASSOCIATIONS>
6380  1

> <PUBCHEM_CONFORMER_ID>
007A1B0400020001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$