8923
  CDK     0426242200

 14 13  0  0  0  0  0  0  0  0999 V2000
    8.5226    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3793   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2361    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0928   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9515    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2371   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8082   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0938    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6650    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3804    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9504   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2  9  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3 12  1  0  0  0  0 
  3 13  1  0  0  0  0 
  4 14  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8  9  1  0  0  0  0 
 10 12  1  0  0  0  0 
 13 14  1  0  0  0  0 
M  END
> <ID>
CHEBI:231291

> <NAME>
Triethylene glycol monobutyl ether

> <STAR>
2

> <IUPAC_NAME>
2-[2-(2-butoxyethoxy)ethoxy]ethanol

> <FORMULA>
C10H22O4

> <MASS>
206.282

> <MONOISOTOPIC_MASS>
206.15181

> <CHARGE>
0

> <SMILES>
O(CCCC)CCOCCOCCO

> <INCHI>
InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3

> <INCHIKEY>
COBPKKZHLDDMTB-UHFFFAOYSA-N

$$$$