7599
  CDK     0930221742

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.0789    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -3.5062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4438    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
    3.0789    1.0313    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
    3.0789    2.6812    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
    1.6500   -2.2688    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
    4.5079    3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    3.9188    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  6  1  0  0  0  0 
  1 10  1  0  0  0  0 
  2 13  1  0  0  0  0 
  2 19  1  0  0  0  0 
  3 10  2  0  0  0  0 
  4  6  1  0  0  0  0 
  4  8  2  0  0  0  0 
  4  9  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5 10  1  0  0  0  0 
  7 11  2  0  0  0  0 
  7 12  1  0  0  0  0 
  8 14  1  0  0  0  0 
  9 15  2  0  0  0  0 
 11 16  1  0  0  0  0 
 12 17  2  0  0  0  0 
 13 14  2  0  0  0  0 
 13 15  1  0  0  0  0 
 16 18  2  0  0  0  0 
 17 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:193411

> <NAME>
4-Methoxybenzyl phenylacetate

> <STAR>
2

> <IUPAC_NAME>
(4-methoxyphenyl)methyl 2-phenylacetate

> <FORMULA>
C16H16O3

> <MASS>
256.301

> <MONOISOTOPIC_MASS>
256.10994

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C16H16O3/c1-18-15-9-7-14(8-10-15)12-19-16(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3

> <INCHIKEY>
VCYWCSZLXMMLLE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
102-17-0

> <CHEMIDPLUS>
102-17-0

$$$$