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612-23-7

2-硝基芐氯(612-23-7)紅外圖譜(IR1)

產(chǎn)品名稱:2-硝基芐氯

CAS:612-23-7

分子式:C7H6ClNO2

分子量: 171.58

InChI:InChI=1S/C7H6ClNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2

InChIKey: BXCBUWKTXLWPSB-UHFFFAOYSA-N

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

  • 圖譜
    Mass

    MS-NW-8850          
    o-nitrobenzyl chloride
    C7H6ClNO2           (Mass of molecular ion:    171)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          18.0       1.9
          26.0       1.4
          27.0       3.6
          28.0       5.6
          29.0       2.8
          30.0      10.1
          36.0       3.1
          37.0       3.0
          38.0       8.3
          39.0      28.6
          40.0       3.6
          41.0       1.9
          43.0       1.0
          44.0       1.4
          46.0       1.3
          49.0       2.5
          50.0      16.1
          51.0      31.6
          52.0      11.0
          53.0       4.7
          61.0       4.8
          62.0      15.7
          63.0      49.2
          64.0      15.5
          65.0      75.0
          66.0       6.0
          73.0       7.0
          74.0       4.1
          75.0       7.8
          76.0       6.3
          77.0      49.8
          78.0      44.2
          79.0      13.6
          80.0      17.3
          81.0       2.3
          85.0       1.9
          86.0       3.5
          87.0       3.6
          88.0       1.6
          89.0     100.0
          90.0      47.8
          91.0      12.4
          92.0      88.4
          93.0       7.1
          97.0       1.2
          99.0      26.6
         100.0       2.1
         101.0       8.5
         104.0       1.2
         105.0      15.2
         106.0       4.8
         108.0      29.9
         109.0       2.3
         112.0       1.3
         118.0       2.4
         119.0       6.6
         120.0       2.8
         123.0       1.0
         124.0       3.0
         125.0      19.3
         126.0      11.5
         127.0       7.0
         128.0       3.5
         136.0      53.7
         137.0       4.3
         154.0       1.7
    

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C7 H6 Cl N O2 0.048 g : 0.5 ml CDCl3
    o-nitrobenzyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.043 B 6.66 C 7.65 D 7.50 E 4.970

         Hz     ppm     Int.
    

        725.88   8.105     67
        724.94   8.095    109
        723.38   8.078     60
        718.00   8.017    125
        716.44   8.000    104
        690.38   7.709    172
        689.00   7.694    239
        686.06   7.661    223
        685.00   7.649    296
        683.50   7.632    203
        679.50   7.588    136
        677.75   7.568     49
        675.63   7.544     81
        674.13   7.528     57
        671.88   7.503     85
        666.13   7.438     43
        445.25   4.972   1000
    

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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