Mol:
17147-42-1.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0
4.6135 4.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9399 6.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4331 6.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.6728 0.0000 C 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 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
5 12 1 0 0 0 0
M END
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3,5-二甲基异噁唑-4-甲酸乙脂 MDL: MFCD00052557
3,5-二甲基异噁唑-4-甲酸乙脂 InChIKey: OQRHVDXUJAQVNT-UHFFFAOYSA-N
3,5-二甲基异噁唑-4-甲酸乙脂 Inchi: 1S/C8H11NO3/c1-4-11-8(10)7-5(2)9-12-6(7)3/h4H2,1-3H3
3,5-二甲基异噁唑-4-甲酸乙脂 SMILES: O1C(C([H])([H])[H])=C(C(=O)OC([H])([H])C([H])([H])[H])C(C([H])([H])[H])=N1