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1878-68-8

對溴苯乙酸(1878-68-8)質譜(MS)

產(chǎn)品名稱:對溴苯乙酸

CAS:1878-68-8

分子式:C8H7BrO2

分子量: 215.04

InChI:InChI=1S/C8H7BrO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey: QOWSWEBLNVACCL-UHFFFAOYSA-N

Smiles:C1(CC(O)=O)=CC=C(Br)C=C1

  • 圖譜
    Mass 

    MS-NW-9373          
p-bromophenylacetic acid
C8H7BrO2            (Mass of molecular ion:    214)


       Source Temperature: 170 °C
   Sample Temperature: 100 °C
   Direct, 75 eV


          18.0       1.4
      28.0       1.0
      38.0       2.2
      39.0       6.3
      43.0       1.4
      44.0       2.0
      45.0       3.2
      50.0       4.1
      51.0       4.1
      61.0       1.5
      62.0       4.5
      63.0      11.4
      64.0       3.6
      65.0       2.7
      67.5       1.0
      74.0       1.4
      75.0       1.2
      77.0       3.5
      78.0       1.7
      79.0       1.6
      84.5       1.9
      85.5       1.8
      86.0       1.3
      87.0       1.1
      89.0      21.7
      90.0      32.0
      91.0      21.5
      92.0       1.6
     169.0     100.0
     170.0       8.3
     171.0      97.6
     172.0       8.2
     214.0      57.0
     215.0       5.1
     216.0      56.1
     217.0       5.0

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C8 H7 Br O2 0.042 g : 0.5 ml CDCl3
    p-bromophenylacetic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            10.64
      B             7.439
      C             7.147
      D             3.588
  

         Hz     ppm     Int.


        952.84  10.640     74
    674.02   7.526     41
    671.72   7.501    383
    669.67   7.478    141
    665.22   7.428    171
    663.09   7.404    697
    660.86   7.379    107
    645.57   7.209     77
    643.35   7.184    559
    641.13   7.159    151
    636.77   7.110    105
    635.14   7.092    266
    634.63   7.087    314
    632.84   7.067     35
    632.41   7.062     37
    321.37   3.589   1000

in CDCl3

  • 圖譜

KBr disc

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nujol mull

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