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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>2620-44-2更多圖譜> 1,2-亞甲基雙氧-4-硝基苯(2620-44-2)質(zhì)譜(MS)

2620-44-2

1,2-亞甲基雙氧-4-硝基苯(2620-44-2)質(zhì)譜(MS)

產(chǎn)品名稱:1,2-亞甲基雙氧-4-硝基苯

CAS:2620-44-2

分子式:C7H5NO4

分子量: 167.12

InChI:InChI=1S/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2

InChIKey: SNWQAKNKGGOVMO-UHFFFAOYSA-N

Smiles:O1C2=CC=C([N+]([O-])=O)C=C2OC1

  • 圖譜
    Mass 

    MS-NW-7900          
5-nitro-1,3-benzodioxole
C7H5NO4             (Mass of molecular ion:    167)


       Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV


          18.0       2.6
      28.0       3.1
      29.0       1.9
      30.0       2.3
      37.0       3.1
      38.0       2.7
      39.0      10.3
      49.0       1.2
      50.0       4.5
      51.0       6.9
      52.0       1.0
      53.0       9.3
      61.0       4.7
      62.0      13.2
      63.0      27.7
      64.0       2.9
      65.0      31.5
      66.0       1.9
      77.0       1.0
      79.0       7.4
      91.0      12.9
      92.0       1.8
     107.0      12.1
     108.0       1.3
     109.0       1.2
     119.0       1.1
     120.0       7.8
     121.0      28.9
     122.0       2.2
     137.0      13.6
     138.0       1.2
     151.0       1.7
     166.0       6.3
     167.0     100.0
     168.0       8.4
     169.0       1.2

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C7 H5 N O4 0.037 g : 0.5 ml CDCl3
    5-nitro-1,3-benzodioxole
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.890
      B             7.658
      C             6.871
      D             6.150
  

         Hz     ppm     Int.


       3158.69   7.904    107
   3156.49   7.899    108
   3150.15   7.883    112
   3147.83   7.877    113
   3061.65   7.661    197
   3059.33   7.656    181
   2750.61   6.883    229
   2741.94   6.861    218
   2458.01   6.151   1000

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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