Mol:
121-97-1.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0
6.7983 2.3550 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
5.4386 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 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 2 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
6 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
12 5 2 0 0 0 0
M END
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对甲氧基苯丙酮 MDL: MFCD00009310
对甲氧基苯丙酮 InChIKey: ZJVAWPKTWVFKHG-UHFFFAOYSA-N
对甲氧基苯丙酮 Inchi: 1S/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3
对甲氧基苯丙酮 SMILES: O(C([H])([H])[H])C1C([H])=C([H])C(=C([H])C=1[H])C(C([H])([H])C([H])([H])[H])=O
对甲氧基苯丙酮 BRN: 907733