612-23-7

2-硝基苄氯(612-23-7)质谱(MS)

产品名称:2-硝基苄氯

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

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

¹H NMR	89.56 MHz
C₇ H₆ Cl N O₂	0.048 g : 0.5 ml CDCl₃
o-nitrobenzyl chloride

    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

KBr disc

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