60999
  CDK     0602212311

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.0789    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2  7  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  7  1  0  0  0  0 
  4  8  2  0  0  0  0 
  4  9  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5 10  2  0  0  0  0 
  5 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 13  2  0  0  0  0 
 10 14  1  0  0  0  0 
 11 15  2  0  0  0  0 
 12 16  2  0  0  0  0 
 13 16  1  0  0  0  0 
 14 17  2  0  0  0  0 
 15 17  1  0  0  0  0 
M  END
> <ID>
CHEBI:174169

> <NAME>
Phenylmethyl benzeneacetate

> <STAR>
2

> <IUPAC_NAME>
benzyl 2-phenylacetate

> <FORMULA>
C15H14O2

> <MASS>
226.275

> <MONOISOTOPIC_MASS>
226.09938

> <CHARGE>
0

> <SMILES>
O(CC1=CC=CC=C1)C(=O)CC2=CC=CC=C2

> <INCHI>
InChI=1S/C15H14O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2

> <INCHIKEY>
MIYFJEKZLFWKLZ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
102-16-9

> <CHEMIDPLUS>
102-16-9

$$$$