69175
  CDK     0110240941

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.3644    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    2.0625    0.0000 O   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
    3.7934    0.8250    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
    4.5079    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.4125    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
    1.6500    0.4125    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
  1  4  1  0  0  0  0 
  1 11  1  0  0  0  0 
  2  6  1  0  0  0  0 
  2 12  1  0  0  0  0 
  3 10  2  0  0  0  0 
  4  5  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6  7  2  0  0  0  0 
  6  9  1  0  0  0  0 
  8  9  2  0  0  0  0 
M  END
> <ID>
CHEBI:228972

> <NAME>
2,4-Dimethoxybenzaldehyde

> <STAR>
2

> <IUPAC_NAME>
2,4-dimethoxybenzaldehyde

> <FORMULA>
C9H10O3

> <MASS>
166.176

> <MONOISOTOPIC_MASS>
166.06299

> <CHARGE>
0

> <SMILES>
O(C1=C(C=CC(OC)=C1)C=O)C

> <INCHI>
InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-6H,1-2H3

> <INCHIKEY>
LWRSYTXEQUUTKW-UHFFFAOYSA-N

$$$$