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返回ChemicalBook首页>CAS数据库列表>100-23-2更多图谱> N,N-二甲基-P-铌三阿呋喃(100-23-2)红外图谱(IR2)

100-23-2

N,N-二甲基-P-铌三阿呋喃(100-23-2)红外图谱(IR2)

分子式:C8H10N2O2

分子量: 166.18

InChI:InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3

InChIKey: QJAIOCKFIORVFU-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0200          
    N,N-dimethyl-p-nitroaniline
    C8H10N2O2           (Mass of molecular ion:    166)
    

       Source Temperature: 180 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          15.0       3.0
          27.0       1.3
          28.0       1.2
          30.0       1.8
          38.0       1.7
          39.0       4.2
          41.0       1.4
          42.0      22.5
          43.0       1.5
          44.0       2.1
          50.0       7.2
          51.0       6.5
          52.0       2.7
          53.0       1.1
          62.0       1.5
          63.0       6.5
          64.0       2.4
          65.0       5.3
          66.0       2.8
          67.0       2.0
          68.0       1.8
          69.0       1.6
          74.0       2.7
          75.0       2.8
          76.0       5.7
          77.0      18.0
          78.0       8.4
          79.0       9.5
          80.0       1.8
          90.0       3.5
          91.0       8.6
          92.0       5.6
          93.0       3.6
          94.0       1.0
         103.0       2.2
         104.0      10.4
         105.0      17.3
         106.0       2.2
         108.0       5.0
         117.0       1.5
         118.0       8.5
         119.0      29.0
         120.0      17.3
         121.0       1.7
         136.0      25.7
         137.0       2.5
         150.0       2.7
         163.0       1.1
         165.0      22.9
         166.0     100.0
         167.0      10.0
    

90 MHz in CDCl3

parameter in acetone

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    1H NMR 89.56 MHz
    C8 H10 N2 O2 0.031 g : 0.5 ml CDCl3
    N,N-dimethyl-p-nitroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.094 B 6.589 C 3.103 J(A,B)=9.5HZ

         Hz     ppm     Int.
    

        730.00   8.151    117
        727.75   8.126     32
        722.69   8.070     34
        720.44   8.045    133
        594.69   6.641     98
        592.50   6.616     27
        587.38   6.559     22
        585.19   6.535     84
        278.00   3.105   1000
    

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    1H NMR 300 MHz
    C8 H10 N2 O2 1.3 mol% in acetone
    N,N-dimethyl-p-nitroaniline
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.05 D(B) 6.79 J(A,A') 3.0 J(A,B) 9.0 J(A,B') 0.2 J(A',B) 0.2 J(A',B') 9.0 J(B,B') 2.6 D(C) 3.18 DISCHLER,B. Z.NATURFORSCH. 20A, 888 (1965)

         Hz     ppm     Int.
    

       2423.08   8.077     11
       2419.66   8.066    112
       2417.52   8.058     36
       2412.65   8.042     37
       2410.51   8.035    119
       2407.10   8.024     12
       2044.98   6.817     12
       2041.56   6.805    118
       2039.42   6.798     37
       2034.55   6.782     36
       2032.41   6.775    114
       2029.00   6.763     11
        953.98   3.180   1000
    

in CDCl3

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KBr disc

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nujol mull

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