5445-26-1

4-硝基苯乙酸乙酯(5445-26-1)红外图谱(IR3)

产品名称:4-硝基苯乙酸乙酯

CAS:5445-26-1

分子式:C10H11NO4

分子量: 209.2

InChI:InChI=1S/C10H11NO4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3

InChIKey: DWDRNKYLWMKWTH-UHFFFAOYSA-N

Smiles:C1(CC(OCC)=O)=CC=C([N+]([O-])=O)C=C1

Mass

MS-NW-3780          
ethyl p-nitrophenylacetate
C10H11NO4           (Mass of molecular ion:    209)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       7.0
      28.0       1.6
      29.0     100.0
      30.0      15.5
      38.0       1.3
      39.0       5.3
      40.0       1.0
      45.0       1.5
      50.0       2.1
      51.0       3.8
      52.0       2.0
      62.0       2.4
      63.0       7.8
      64.0       3.5
      65.0       1.1
      73.0       1.4
      77.0       4.3
      78.0      15.9
      79.0       3.4
      89.0      19.1
      90.0      23.0
      91.0       6.0
     106.0      11.0
     107.0      13.3
     108.0       1.1
     119.0       4.1
     120.0      10.1
     121.0       2.2
     135.0       1.7
     136.0      32.7
     137.0      42.0
     138.0       3.4
     164.0       4.0
     165.0       2.1
     181.0       2.1
     209.0      10.5
     210.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₁ N O₄	0.045 g : 0.5 ml CDCl₃
ethyl p-nitrophenylacetate

    Assign.     Shift(ppm)

      A             8.176
      B             7.468
      C             4.177
      D             3.729
      E             1.265

     Hz     ppm     Int.

    737.19   8.232    248
    735.13   8.209     82
    730.44   8.156     88
    728.31   8.133    317
    725.94   8.106     42
    675.13   7.539     35
    672.81   7.513    285
    672.19   7.506    187
    671.19   7.495     61
    670.63   7.489     80
    665.94   7.436     67
    664.44   7.419    147
    663.88   7.413    215
    663.31   7.407    104
    385.13   4.301     99
    377.94   4.220    340
    370.81   4.141    355
    363.75   4.062    116
    334.00   3.730    511
    120.25   1.343    435
    113.19   1.264   1000
    106.00   1.184    378

in CDCl3