Mol:
90-84-6.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0
8.1580 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5176 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 0.7850 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 1 0 0 0 0
3 6 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 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
15 10 2 0 0 0 0
M END
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二乙胺苯丙酮 MDL: MFCD00056154
二乙胺苯丙酮 InChIKey: XXEPPPIWZFICOJ-UHFFFAOYSA-N
二乙胺苯丙酮 Inchi: 1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
二乙胺苯丙酮 SMILES: CCN(CC)C(C)C(=O)C1=CC=CC=C1