Mol:
4887-80-3.mol by:chem960.com
ChemDraw08031019472D
…………
0.6388 7.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 5.7609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8870 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8870 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 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 1 0 0 0 0
8 9 2 0 0 0 0
9 5 1 0 0 0 0
6 10 1 0 0 0 0
10 11 2 0 0 0 0
11 3 1 0 0 0 0
M END
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5-甲氧基苯并咪唑 MDL:
MFCD09842601
5-甲氧基苯并咪唑 InChIKey:
ILMHAGCURJPNRZ-UHFFFAOYSA-N
5-甲氧基苯并咪唑 Inchi:
1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
5-甲氧基苯并咪唑 SMILES:
O(C([H])([H])[H])C1C([H])=C([H])C2=C(C=1[H])N([H])C([H])=N2