Mol:LBF11000BC02

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LBF11000BC02.png

 
 
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 15 14  0  0  1  0  0  0  0  0999 V2000 
   -2.7019    0.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7631    0.3559    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.7631   -0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4451    0.3559    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.4451   -0.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2894    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7019    1.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7019   -0.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4355    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0230   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1980   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2145   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0619    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4744   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2994   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  4  0  0  0 
  4  5  1  4  0  0  0 
  4  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  6  8  1  0  0  0  0 
  1  9  1  0  0  0  0 
  2 12  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 
  2 13  1  0  0  0  0 
  4 15  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
S  SKP  5 
ID	LBF11000BC02 
FORMULA	C13H26O2 
EXACTMASS	214.19328007599998 
AVERAGEMASS	214.34433999999996 
SMILES	CCCCCC(C)CCCC(C)C(O)=O 
M  END
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