-OEChem-03261012002D

 10 10  0     1  0  0  0  0  0999 V2000
   -0.3548    0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3548    1.0305    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3597   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0692   -0.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3597   -1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0692   -1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3548   -1.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0667    1.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0692    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24851741

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
19620_FLUKA

> <PUBCHEM_SUBSTANCE_SYNONYM>
19620_FLUKA
2-Phenylbutane
sec-Butylbenzene

> <PUBCHEM_XREF_EXT_ID>
19620_FLUKA

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/FLUKA/19620?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
8680  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$