Mol:
15351-09-4.mol by:chem960.com
ChemDraw08031019472D
…………
3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 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
2 4 1 0 0 0 0
4 5 1 1 0 0 0
4 6 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
8 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 8 2 0 0 0 0
M END
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甲胺苯丙酮 InChIKey: KBHMHROOFHVLBA-SECBINFHSA-N
甲胺苯丙酮 Inchi: InChI=1S/C11H15NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9H,1-3H3/t9-/m1/s1
甲胺苯丙酮 SMILES: CN([C@@H](C(C1=CC=CC=C1)=O)C)C