Mol:
5736-87-8.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0
4.0790 5.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.1400 0.0000 O 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
1 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
11 14 2 0 0 0 0
M END
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4'-丙氧基苯丙酮 MDL: MFCD01694976
4'-丙氧基苯丙酮 InChIKey: WRMLGNJEOPKSSD-UHFFFAOYSA-N
4'-丙氧基苯丙酮 Inchi: InChI=1S/C12H16O2/c1-3-9-14-11-7-5-10(6-8-11)12(13)4-2/h5-8H,3-4,9H2,1-2H3
4'-丙氧基苯丙酮 SMILES: CCCOC1=CC=C(C=C1)C(=O)CC