Mol:
15574-49-9.mol by:chem960.com
ChemDraw08031019472D
…………
9.9963 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6413 1.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5904 5.2467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9171 6.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1553 4.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7956 5.3929 0.0000 C 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
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
13 7 2 0 0 0 0
8 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
16 6 2 0 0 0 0
16 17 1 0 0 0 0
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。
美卡比酯 MDL: MFCD00451373
美卡比酯 InChIKey: YTBNTDMBGXAOCG-UHFFFAOYSA-N
美卡比酯 Inchi: 1S/C13H15NO3/c1-4-17-13(16)12-8(2)14(3)11-6-5-9(15)7-10(11)12/h5-7,15H,4H2,1-3H3
美卡比酯 SMILES: O(C([H])([H])C([H])([H])[H])C(C1=C(C([H])([H])[H])N(C([H])([H])[H])C2C([H])=C([H])C(=C([H])C=21)O[H])=O