
 OpenBabel04291915333D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.6069    1.7013   -2.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9957    0.9929   -1.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3032    0.8248   -1.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6920    0.1164   -0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9996   -0.0517    0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2993    1.8694   -2.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3883   -0.7602    1.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4695   -1.3005    1.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034   -0.4062    0.6146 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8313   -0.9457    1.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9980   -1.7785    2.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4780   -1.9687    2.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6406   -2.7807    4.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6512   -3.1818    4.8204 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8758   -3.0791    4.6672 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3130    2.1166   -3.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2896    0.5777   -0.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0094    1.2400   -1.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6369    2.1083   -3.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4926   -1.8693    2.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8191   -0.4188    0.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2930    0.0094    1.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940   -1.4484    0.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5363   -2.7335    2.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5353   -1.2757    3.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9398   -1.0137    3.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9408   -2.4715    2.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9786   -3.5924    5.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 28  1  0  0  0  0
M  END
>  <SKU>
A10013

>  <Product Name>
3-Indolebutyric acid

>  <CAS>
133-32-4

>  <M.Wt>
203.23712

>  <Formula>
C12H13NO2

>  <Synonyms>
IBA

>  <URL>
https://www.adooq.com/3-indolebutyric-acid.html

$$$$
