Mol:
0 0 0
-0.7118 -2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1375 2.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8487 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8466 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1350 2.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8487 -0.6163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7110 3.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8487 1.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8466 1.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0
2 3 1 0 0 0
2 4 1 0 0 0
3 5 1 0 0 0
4 6 2 0 0 0
4 7 1 0 0 0
5 6 1 0 0 0
5 8 1 0 0 0
5 9 1 0 0 0
5 10 1 0 0 0
5 11 1 0 0 0
6 12 1 0 0 0
7 13 2 0 0 0
8 14 2 0 0 0
8 15 1 0 0 0
9 16 2 0 0 0
9 17 1 0 0 0
10 18 1 0 0 0
11 19 1 0 0 0
12 20 2 0 0 0
13 20 1 0 0 0
14 19 1 0 0 0
14 21 1 0 0 0
15 22 2 0 0 0
16 18 1 0 0 0
16 23 1 0 0 0
17 24 2 0 0 0
18 25 2 0 0 0
19 26 2 0 0 0
21 27 2 0 0 0
22 27 1 0 0 0
23 28 2 0 0 0
24 28 1 0 0 0
M CHG 4 5 3 6 1 8 1 9 1
M END
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