Mol:
1075-89-4.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0
4.0790 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 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 4 1 0 0 0 0
4 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
12 2 1 0 0 0 0
M END
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3,3-四亚甲基戊二酰亚胺 MDL:
MFCD00023871
3,3-四亚甲基戊二酰亚胺 InChIKey:
YRTHJMQKDCXPAY-UHFFFAOYSA-N
3,3-四亚甲基戊二酰亚胺 Inchi:
1S/C9H13NO2/c11-7-5-9(3-1-2-4-9)6-8(12)10-7/h1-6H2,(H,10,11,12)
3,3-四亚甲基戊二酰亚胺 SMILES:
O=C1C([H])([H])C2(C([H])([H])C(N1[H])=O)C([H])([H])C([H])([H])C([H])([H])C2([H])[H]
3,3-四亚甲基戊二酰亚胺 BRN:
383702