-OEChem-03261012003D

  8  8  0     0  0  0  0  0  0999 V2000
   -1.1951    2.0388    0.0188 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1656    3.4861    0.0092 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0167    1.3782    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    2.0878    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3879    1.4045   -0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087   -0.6804   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3988    0.0226   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
840296

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20033103

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-fluoroaniline
348-54-9
InChI=1/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H
benzenamine, 2-fluoro-

> <PUBCHEM_GENERIC_REGISTRY_NAME>
348-54-9

> <PUBCHEM_XREF_EXT_ID>
20033103

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20033103

> <PUBCHEM_CID_ASSOCIATIONS>
9584  1

> <PUBCHEM_CONFORMER_ID>
000CD26800030001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$