Mol:
0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9552 0.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0689 -0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3277 0.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8746 -1.2326 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
2 12 1 0 0 0 0
3 12 1 0 0 0 0
4 12 1 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 10 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 11 1 0 0 0 0
7 9 1 0 0 0 0
7 12 1 0 0 0 0
10 11 1 0 0 0 0
M CHG 2 1 1 12 -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。