O4I1.cdx
csChFnd80/02031613392D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6359    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6980    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9105    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1229    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1229    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9105    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6980    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3354    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5478    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  3  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1)
12

>  <Formula> (1)
C16H15NO2

>  <MolWeight> (1)
253.2958

>  <Item Name> (1)
O4I1

>  <Catalog Number> (1)
S7943

>  <Synonyms> (1)
N/A

>  <Target> (1)
OCT

>  <Form> (1)
Free Base

>  <URL> (1)
http://www.selleckchem.com/products/o4i1.html

>  <CAS Number> (1)
175135-47-4

$$$$
