-OEChem-06231013072D

 11 11  0     0  0  0  0  0  0999 V2000
    4.3800   -1.1300    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4800   -0.1900    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4800   -2.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   -1.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3900   -1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3300   -1.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -2.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8700   -2.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8700   -0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3900   -1.1300    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  2  0  0  0  0
  1  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
87691588

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20200264

> <PUBCHEM_SUBSTANCE_SYNONYM>
4-methylbenzenesulfonyl fluoride
InChI=1/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
YBYRMVIVWMBXKQ-UHFFFAOYSA-

> <PUBCHEM_XREF_EXT_ID>
20200264

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20200264

> <PUBCHEM_CID_ASSOCIATIONS>
4784  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$