Mol:
2012-81-9.mol by:chem960.com
ChemDraw08031019472D
…………
4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 6.2800 0.0000 N 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 3.1400 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
5 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 3 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
M END
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2-对氯苯基-3-甲基丁腈 MDL: MFCD00043690
2-对氯苯基-3-甲基丁腈 InChIKey: RBGSZIRWNWQDOK-UHFFFAOYSA-N
2-对氯苯基-3-甲基丁腈 Inchi: InChI=1S/C11H12ClN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,1-2H3
2-对氯苯基-3-甲基丁腈 SMILES: CC(C)C(C#N)C1=CC=C(C=C1)Cl