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3209-22-1

2,3-二氯硝基苯(3209-22-1)核磁图(13CNMR)

产品名称:2,3-二氯硝基苯

CAS:3209-22-1

分子式:C6H3Cl2NO2

分子量: 192

InChI:InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H

InChIKey: CMVQZRLQEOAYSW-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC([N+]([O-])=O)=C1Cl

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    Mass

    MS-NW-8884          
    1,2-dichloro-3-nitrobenzene
    C6H3Cl2NO2          (Mass of molecular ion:    191)
    

       Source Temperature: 280 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          28.0       3.5
          30.0      40.2
          36.0       3.2
          37.0       3.9
          38.0       3.2
          39.0       1.9
          46.0       1.0
          49.0       4.3
          50.0       8.5
          51.0       2.8
          61.0       4.4
          62.0       3.1
          63.0       6.7
          72.0       2.8
          73.0      12.5
          74.0      42.4
          75.0      39.2
          76.0       2.7
          83.0       2.3
          84.0      17.7
          85.0      11.4
          86.0       6.5
          87.0       4.2
          88.0       1.0
          97.0       2.4
          98.0       1.9
         107.0       3.2
         108.0       2.8
         109.0      94.5
         110.0      18.5
         111.0      31.0
         112.0       5.8
         119.0       2.4
         121.0       1.7
         126.0       2.5
         128.0       1.1
         133.0      67.6
         134.0       3.9
         135.0      43.7
         136.0       2.5
         137.0       7.1
         144.0       1.4
         145.0     100.0
         146.0       7.5
         147.0      63.6
         148.0       4.4
         149.0      10.3
         161.0      22.8
         162.0       1.6
         163.0      14.7
         164.0       1.0
         165.0       2.5
         175.0       2.1
         177.0       1.4
         191.0      96.7
         192.0       6.9
         193.0      62.4
         194.0       4.4
         195.0      10.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H3 Cl2 N O2 0.05 ml : 0.5 ml CDCl3
    1,2-dichloro-3-nitrobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.70 B 7.69 C 7.37 A AND B WERE CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        695.38   7.765    254
        694.63   7.757    447
        693.63   7.745    402
        692.81   7.736    334
        686.50   7.666    926
        685.75   7.657   1000
        667.63   7.455    575
        660.56   7.376    315
        658.69   7.355    227
        651.63   7.276    274
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,100M,powder

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