-OEChem-10201113253D

  8  8  0     0  0  0  0  0  0999 V2000
   -0.0167    1.3781    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960    0.0285   -0.0212 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
    1.2084   -0.6789   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709    2.0855    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3773    1.4107   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3319    2.1138    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7112   -0.7071   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
587760

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
10008610

> <PUBCHEM_SUBSTANCE_SYNONYM>
106-42-3
BENZENE,1,4-DIMETHYL
InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H
benzene, 1,4-dimethyl-
p-xylene

> <PUBCHEM_GENERIC_REGISTRY_NAME>
106-42-3

> <PUBCHEM_XREF_EXT_ID>
10008610

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/10008610

> <PUBCHEM_CID_ASSOCIATIONS>
7809  1

> <PUBCHEM_CONFORMER_ID>
0008F7F000030001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$