Mol:LBF13000BC03

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LBF13000BC03.png

 
 
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 16 15  0  0  1  0  0  0  0  0999 V2000 
    0.6297   -1.4240    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.6297   -0.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1644   -1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1644    2.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7533    1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9312    1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5201    0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6980    0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5352    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9463   -0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7684   -0.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1795   -1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0910   -1.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5021   -0.7120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5021   -2.1360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  4  0  0  0 
  1  4  1  0  0  0  0 
  3 13  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  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 
 12 13  1  0  0  0  0 
  1 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 14 16  1  0  0  0  0 
S  SKP  5 
ID	LBF13000BC03 
FORMULA	C14H28O2 
EXACTMASS	228.20893013999998 
AVERAGEMASS	228.37091999999998 
SMILES	CCCCCCCCCCCC(C)C(O)=O 
M  END
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