Mol:
15121-89-8.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0
4.0790 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 2.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 2 1 0 0 0 0
1 8 2 0 0 0 0
1 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
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
M END
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3-苯甲酰基丙烯酸乙酯 MDL: MFCD00011533
3-苯甲酰基丙烯酸乙酯 InChIKey: ACXLBHHUHSJENU-CMDGGOBGSA-N
3-苯甲酰基丙烯酸乙酯 Inchi: 1S/C12H12O3/c1-2-15-12(14)9-8-11(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
3-苯甲酰基丙烯酸乙酯 SMILES: O(C(/C(/[H])=C(\[H])/C(C1C([H])=C([H])C([H])=C([H])C=1[H])=O)=O)C([H])([H])C([H])([H])[H]