Mol:
73193-54-1.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0
9.3533 3.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3749 1.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2978 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8049 1.2702 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 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 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
8 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
12 6 1 0 0 0 0
M END
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3-甲基-4-氧代吡咯烷-1-甲酸乙酯 InChIKey:
ZKAXNDIZFKEUTA-UHFFFAOYSA-N
3-甲基-4-氧代吡咯烷-1-甲酸乙酯 Inchi:
1S/C8H13NO3/c1-3-12-8(11)9-4-6(2)7(10)5-9/h6H,3-5H2,1-2H3
3-甲基-4-氧代吡咯烷-1-甲酸乙酯 SMILES:
O=C1C([H])([H])N(C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])C1([H])C([H])([H])[H]