
 OpenBabel04291915483D

 41 41  0  0  0  0  0  0  0  0999 V2000
   13.6591   -2.2308    3.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0991   -1.4704    2.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8741   -1.0020    1.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3141   -0.2416    0.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0890    0.2268   -0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5290    0.9872   -1.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4112    1.4146   -2.3197 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5591    2.1151   -3.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4768    2.5289   -4.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6241    3.2253   -5.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5418    3.6391   -5.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6891    4.3354   -7.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4118    1.4187   -2.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2320    4.1942   -6.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3066    3.3552   -5.4973 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4615    2.4578   -4.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1198    2.2171   -3.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5215   -2.5605    4.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0744   -3.0786    3.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0718   -1.5886    4.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6865   -2.1126    1.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6839   -0.6226    2.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2867   -0.3598    2.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2893   -1.8498    1.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9014   -0.8838   -0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8988    0.6062    0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5017    0.8690    0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5043   -0.6210   -0.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1164    0.3450   -2.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1138    1.8350   -1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5091    0.8829   -1.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6970    4.6774   -7.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9735    4.6472   -5.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9735    3.1562   -6.8437 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2038    2.8694   -4.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4251    2.2158   -3.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9214    1.5561   -4.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9207    3.0476   -3.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1988    1.6606   -2.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5913    1.6374   -4.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5897    3.1282   -3.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  2  0  0  0  0
 11 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  2  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
M  END
>  <SKU>
A16335

>  <Product Name>
HTHQ

>  <CAS>
148081-72-5

>  <M.Wt>
236.34986

>  <Formula>
C15H24O2

>  <Synonyms>
N/A

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

$$$$
