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89-92-9

2-甲基芐溴(89-92-9)質(zhì)譜(MS)

產(chǎn)品名稱:2-甲基芐溴

CAS:89-92-9

分子式:C8H9Br

分子量: 185.06

InChI:InChI=1S/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3

InChIKey: WGVYCXYGPNNUQA-UHFFFAOYSA-N

Smiles:C1(CBr)=CC=CC=C1C

  • 圖譜
    Mass 

    MS-NW-4686          
alpha-bromo-2-xylene
C8H9Br              (Mass of molecular ion:    184)


       Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV


          27.0       3.3
      38.0       1.1
      39.0       4.6
      50.0       2.9
      51.0       7.7
      52.0       3.4
      53.0       1.4
      62.0       1.1
      63.0       3.1
      65.0       1.9
      77.0      11.6
      78.0       6.2
      79.0      11.7
      89.0       1.5
      91.0       1.7
     102.0       1.6
     103.0       9.6
     104.0       7.7
     105.0     100.0
     106.0      10.2
     184.0       4.3
     186.0       4.3

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C8 H9 Br 0.04 ml : 0.5 ml CDCl3
    alpha-bromo-2-xylene
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             2.399
      B             4.494
      C          6.97 to 7.39
  

         Hz     ppm     Int.


        656.38   7.329     32
    656.06   7.326     29
    655.31   7.317     28
    653.44   7.297     40
    651.88   7.279     62
    648.50   7.241    108
    647.31   7.228     59
    646.38   7.218    102
    645.31   7.206    130
    644.88   7.201    132
    643.50   7.186    459
    640.81   7.156    249
    640.06   7.147    118
    638.38   7.128     59
    402.50   4.495    892
    400.13   4.468     35
    214.81   2.399   1000

in CDCl3

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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