Mol:
16282-16-9.mol by:chem960.com
ChemDraw08031019472D
…………
4.0790 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 2.3550 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
4.0790 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 5.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
8 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 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
M END
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1,2-二苯基-1-丁酮 MDL: MFCD00010344
1,2-二苯基-1-丁酮 InChIKey: UHKJKVIZTFFFSB-UHFFFAOYSA-N
1,2-二苯基-1-丁酮 Inchi: 1S/C16H16O/c1-2-15(13-9-5-3-6-10-13)16(17)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
1,2-二苯基-1-丁酮 SMILES: O=C(C1C([H])=C([H])C([H])=C([H])C=1[H])C([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])C([H])([H])C([H])([H])[H]