-OEChem-02171214073D

  8  8  0     0  0  0  0  0  0999 V2000
   -1.1312    5.7761    0.0434 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0683    5.1816    0.0301 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0501    3.8444    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1768    3.1504    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2578    3.1173    0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1822    1.7796    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2260    1.7469    0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0126    1.0758    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
840769

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
30000583

> <PUBCHEM_SUBSTANCE_SYNONYM>
586-96-9
InChI=1/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5
Nitrosobenzene

> <PUBCHEM_GENERIC_REGISTRY_NAME>
586-96-9

> <PUBCHEM_XREF_EXT_ID>
30000583

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/30000583

> <PUBCHEM_CID_ASSOCIATIONS>
11473  1

> <PUBCHEM_CONFORMER_ID>
000CD44100030001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$