2-Butanone,4-hydroxy-3-methyl-4-(4-nitrophenyl)-结构式

2-Butanone,4-hydroxy-3-methyl-4-(4-nitrophenyl)-
英文名称:2-Butanone,4-hydroxy-3-methyl-4-(4-nitrophenyl)-
CAS No.:91134-02-0
分子式:C11H13NO4 分子量:223.22522
2-Butanone,4-hydroxy-3-methyl-4-(4-nitrophenyl)- 数据
Mol:
C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    1.5700    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3597    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3550    0.0000 O   0  5  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  1  0  0  0  0
  4  6  2  0  0  0  0
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  1  14   1
M  CHG  1  16  -1
M  END                                
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2-Butanone,4-hydroxy-3-methyl-4-(4-nitrophenyl)- Smile 编码:
OC(C1C=CC([N+]([O-])=O)=CC=1)C(C)C(=O)C
2-Butanone,4-hydroxy-3-methyl-4-(4-nitrophenyl)- InChi 编码:
InChI=1S/C11H13NO4/c1-7(8(2)13)11(14)9-3-5-10(6-4-9)12(15)16/h3-7,11,14H,1-2H3
2-Butanone,4-hydroxy-3-methyl-4-(4-nitrophenyl)- InChiKey 编码:
SHQWHOLGKWLWAN-UHFFFAOYSA-N