Mol:
2079-89-2.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0
14.3303 1.1775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.9706 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6110 1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2513 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8916 2.7475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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
1 7 2 0 0 0 0
1 8 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 3 0 0 0 0
M END
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富马酸3-氨基丙腈 MDL: MFCD00013142
富马酸3-氨基丙腈 InChIKey: NYMXYZMHOZAPHQ-SEPHDYHBSA-N
富马酸3-氨基丙腈 Inchi: 1S/C4H4O4.2C3H6N2/c5-3(6)1-2-4(7)8;2*4-2-1-3-5/h1-2H,(H,5,6)(H,7,8);2*1-2,4H2/b2-1+;;
富马酸3-氨基丙腈 SMILES: O([H])C(/C(/[H])=C(\[H])/C(=O)O[H])=O.N([H])([H])C([H])([H])C([H])([H])C#N.N([H])([H])C([H])([H])C([H])([H])C#N
富马酸3-氨基丙腈 BRN: 3573532