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591-27-5

3-氨基苯酚(591-27-5)Raman光譜

產品名稱:3-氨基苯酚

CAS:591-27-5

分子式:C6H7NO

分子量: 109.13

InChI:InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2

InChIKey: CWLKGDAVCFYWJK-UHFFFAOYSA-N

Smiles:C1(O)=CC=CC(N)=C1

  • 圖譜
    Mass 

    MS-IW-4311          
m-aminophenol
C6H7NO              (Mass of molecular ion:    109)


       Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          18.0       4.1
      27.0       1.7
      38.0       1.4
      39.0       3.8
      40.0       2.0
      41.0       2.6
      42.0       1.7
      51.0       1.7
      52.0       2.8
      53.0       6.7
      54.0       3.0
      54.5       4.3
      55.0       1.4
      63.0       2.4
      64.0       3.2
      65.0       2.3
      66.0       1.5
      68.0       3.1
      69.0       1.2
      80.0      24.5
      81.0      14.3
      82.0       4.8
      91.0       1.9
     108.0       4.9
     109.0     100.0
     110.0       7.6

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C6 H7 N O 0.042 g : 0.5 ml DMSO-d6
    m-aminophenol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.83
      B             6.780
      C             6.018
      D             6.01
      E             5.942
      F             4.85
  

         Hz     ppm     Int.


       3529.97   8.833   1000
   2717.29   6.800    136
   2716.37   6.797    102
   2709.35   6.780    253
   2707.98   6.776     95
   2702.94   6.764     63
   2701.11   6.759    162
   2406.01   6.021    542
   2404.33   6.017    599
   2402.65   6.012    215
   2398.68   6.002    185
   2397.77   6.000    202
   2396.55   5.997    135
   2395.63   5.995    113
   2380.83   5.958    163
   2379.30   5.954    229
   2377.62   5.950    138
   2372.89   5.938    168
   2371.98   5.936    162
   2370.61   5.932    154
   2369.69   5.930    136
   1939.24   4.853    393

in DMSO-d6

  • 圖譜

KBr disc

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