Mol:
5197-95-5.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0
0.3643 4.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5043 1.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 1.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.7193 0.0000 C 0 0 0 0 0 0 0 0 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 7 1 0 0 0 0
7 8 2 0 0 0 0
8 3 1 0 0 0 0
2 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
9 12 1 0 0 0 0
12 13 1 0 0 0 0
9 14 1 0 0 0 0
14 15 1 0 0 0 0
M CHG 1 1 -1
M CHG 1 9 1
M END
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苄基三乙基溴化铵 MDL:
MFCD00011822
苄基三乙基溴化铵 InChIKey:
CHQVQXZFZHACQQ-UHFFFAOYSA-M
苄基三乙基溴化铵 Inchi:
1S/C13H22N.BrH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
苄基三乙基溴化铵 SMILES:
CC[N+](CC)(CC)CC1=CC=CC=C1.[Br-]
苄基三乙基溴化铵 BRN:
3739113