Mol:
1643-19-2.mol by:chem960.com
ChemDraw08031019472D
…………
C 0 0 0 0 0 0 0 0 0 0 0 0
6.2236 1.3597 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 4.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 5.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 4.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 5.4386 0.0000 C 0 0 0 0 0 0 0 0 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 10 1 0 0 0 0
6 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
6 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
M CHG 1 1 -1
M CHG 1 6 1
M END
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四丁基溴化铵 MDL:
MFCD00011633
四丁基溴化铵 InChIKey:
JRMUNVKIHCOMHV-UHFFFAOYSA-M
四丁基溴化铵 Inchi:
1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
四丁基溴化铵 SMILES:
[Br-].[N+](C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
四丁基溴化铵 BRN:
3570983