Mol:
0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 11.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 11.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6899 8.2425 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
17.0496 7.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4093 8.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.7689 7.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.7689 5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4093 5.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0496 5.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4093 3.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.8622 5.8875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 3 2 0 0 0 0
6 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
13 17 1 0 0 0 0
17 18 2 0 0 0 0
18 10 1 0 0 0 0
9 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 19 2 0 0 0 0
22 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
2 28 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 30 2 0 0 0 0
34 36 1 0 0 0 0
M CHG 1 29 -1
M END
如需查看或获取完整mol文件,请关注官方微信公众号(微信搜一搜:Chem960),回复CAS号+“mol”(如回复:98-98-6 mol)免费获取。