Mol:
17768-34-2.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0
6.1343 1.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 4.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 3.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 2.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 4.6423 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
3 4 1 0 0 0 0
4 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
8 9 1 0 0 0 0
9 2 1 0 0 0 0
8 10 1 0 0 0 0
10 4 1 0 0 0 0
6 11 1 0 0 0 0
11 2 1 0 0 0 0
4 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
M END
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3-溴-1-金刚烷乙酸 MDL: MFCD00154387
3-溴-1-金刚烷乙酸 InChIKey: HFGLWCBEPPFDDJ-VSKBNFNDSA-N
3-溴-1-金刚烷乙酸 Inchi: InChI=1S/C12H17BrO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(14)15/h8-9H,1-7H2,(H,14,15)
3-溴-1-金刚烷乙酸 SMILES: C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)O