
 OpenBabel04291915363D

 28 28  0  0  0  0  0  0  0  0999 V2000
   13.6564    7.4136   -0.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9154    6.1316   -0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292    5.0698   -0.2442 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4334    6.1316   -0.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9268    4.7002   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4448    4.7001   -0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7733    3.5385   -0.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4304    3.5384   -0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7589    4.7000   -0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4160    4.7000   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7733    5.8617   -0.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4334    5.8669   -0.2883 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7794    3.5384   -0.1745 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4729    4.7381   -0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9611    8.2259   -0.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2723    7.4276   -1.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2709    7.5128    0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0775    6.5927   -1.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0760    6.6780    0.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2827    4.2390    0.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2842    4.1538   -1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2893    2.6458   -0.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3983    4.5288   -0.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1338    6.8276   -0.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3704    5.8670   -0.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5249    4.5428   -0.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2144    5.3416    0.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2144    5.2555   -1.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
>  <SKU>
A10964

>  <Product Name>
Vanillylacetone

>  <CAS>
122-48-5

>  <M.Wt>
194.22706

>  <Formula>
C11H14O3

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/vanillylacetone.html

$$$$
