94801
  CDK     0118221227

 17 17  0  0  0  0  0  0  0  0999 V2000
    5.2223    3.9188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    2.2688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0 
  1 15  1  0  0  0  0 
  2 12  2  0  0  0  0 
  3 10  1  0  0  0  0 
  3 11  1  0  0  0  0 
  3 12  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  9  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 13  1  0  0  0  0 
 10 14  1  0  0  0  0 
 11 15  1  0  0  0  0 
 13 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:189299

> <NAME>
N-Decanoylmorpholine

> <STAR>
2

> <IUPAC_NAME>
1-morpholin-4-yldecan-1-one

> <FORMULA>
C14H27NO2

> <MASS>
241.375

> <MONOISOTOPIC_MASS>
241.20418

> <CHARGE>
0

> <SMILES>
O1CCN(CC1)C(=O)CCCCCCCCC

> <INCHI>
InChI=1S/C14H27NO2/c1-2-3-4-5-6-7-8-9-14(16)15-10-12-17-13-11-15/h2-13H2,1H3

> <INCHIKEY>
DAOANAATJZWTSJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
5299-65-0

> <CHEMIDPLUS>
5299-65-0

$$$$