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89-59-8

4-氯-2-硝基甲苯(89-59-8)红外图谱(IR1)

产品名称:4-氯-2-硝基甲苯

CAS:89-59-8

分子式:C7H6ClNO2

分子量: 171.58

InChI:InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3

InChIKey: SQFLFRQWPBEDHM-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1702          
    4-chloro-2-nitrotoluene
    C7H6ClNO2           (Mass of molecular ion:    171)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       2.5
          26.0       1.9
          27.0       4.6
          28.0       4.8
          29.0       2.6
          30.0       9.5
          37.0       5.6
          38.0       8.4
          39.0      33.7
          40.0       2.7
          41.0       1.4
          43.0       3.0
          44.0       1.7
          46.0       1.6
          49.0       3.4
          50.0      14.2
          51.0      20.7
          52.0       4.1
          53.0       1.6
          60.0       1.2
          61.0       7.1
          62.0      18.3
          63.0      59.6
          64.0       9.4
          65.0       7.5
          72.0       1.3
          73.0      16.0
          74.0       6.0
          75.0      11.5
          76.0       3.0
          77.0      35.4
          78.0       8.7
          84.0       1.3
          85.0       3.5
          86.0       4.7
          87.0       5.2
          88.0       2.2
          89.0     100.0
          90.0      53.7
          91.0       8.6
          92.0       1.4
          97.0       2.3
          98.0       1.9
          99.0      46.8
         100.0       4.2
         101.0      15.1
         102.0       1.3
         106.0       1.8
         111.0       2.0
         112.0       2.6
         113.0       3.0
         114.0       1.3
         115.0       1.0
         118.0       3.0
         123.0       2.1
         124.0       7.8
         125.0      38.2
         126.0      57.3
         127.0      20.4
         128.0      18.7
         129.0       2.7
         140.0       1.0
         141.0       2.4
         154.0      88.3
         155.0       8.9
         156.0      28.0
         157.0       2.9
         171.0      32.8
         172.0       2.8
         173.0      10.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H6 Cl N O2 0.040 g : 0.5 ml CDCl3
    4-chloro-2-nitrotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.954 B 7.458 C 7.300 D 2.568 J(A,B)=2.1HZ J(A,C)=0.6HZ J(B,C)=8.3HZ J(B,D)=0.3HZ J(C,D)=0.5HZ

         Hz     ppm     Int.
    

        713.69   7.969    164
        711.56   7.946    192
        675.13   7.539     75
        673.00   7.515     61
        666.88   7.447    173
        664.69   7.422    174
        656.75   7.334    162
        656.19   7.327    208
        655.63   7.321    160
        648.50   7.241     60
        648.00   7.236     79
        647.38   7.229     60
        230.00   2.569   1000
    

in CDCl3

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KBr disc

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4880 A,200 M,powder

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