-OEChem-09021010382D

 12 12  0     1  0  0  0  0  0999 V2000
    0.9800   -3.5400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1900   -4.0700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7700   -1.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2400   -0.2600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7900   -4.0700    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4700   -5.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -3.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100   -5.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9600   -2.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8900   -2.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0700   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0700   -1.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3 12  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
87691489

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20200153

> <PUBCHEM_SUBSTANCE_SYNONYM>
5-(dithiolan-3-yl)pentanamide
FCCDDURTIIUXBY-UHFFFAOYSA-
InChI=1/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)

> <PUBCHEM_XREF_EXT_ID>
20200153

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20200153

> <PUBCHEM_CID_ASSOCIATIONS>
863  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$