Mol:
4994-16-5.mol by:chem960.com
ChemDraw08031019472D
…………
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 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 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 1 0 0 0 0
M END
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4-苯基-1-环己烯 MDL: MFCD00049188
4-苯基-1-环己烯 InChIKey: XWCWNUSFQVJNDI-UHFFFAOYSA-N
4-苯基-1-环己烯 Inchi: 1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8,12H,6,9-10H2
4-苯基-1-环己烯 SMILES: C1([H])(C2C([H])=C([H])C([H])=C([H])C=2[H])C([H])([H])C([H])=C([H])C([H])([H])C1([H])[H]
4-苯基-1-环己烯 BRN: 1930089