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4998-48-5

2-(2H-benzotriazol-2-yl)-5-methylphenol

Product Name 2-(2H-benzotriazol-2-yl)-5-methylphenol

CAS4998-48-5

MFC13H11N3O

MW225.25

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  • 4998-48-5_ms_1
    Mass

    MS-IW-3462          
    2-(2H-benzotriazol-2-yl)-5-methylphenol
    C13H11N3O           (Mass of molecular ion:    225)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       2.5
          27.0       2.8
          28.0       2.2
          38.0       1.6
          39.0       8.4
          40.0       2.2
          41.0       2.4
          50.0       2.2
          51.0       8.1
          52.0       4.7
          53.0       2.7
          54.0       1.9
          63.0       2.8
          64.0       3.4
          65.0      11.6
          66.0      13.2
          67.0       1.7
          76.0       1.3
          77.0       4.9
          78.0       7.8
          79.0       1.1
          91.0       5.7
          92.0       7.0
          93.0      24.9
          94.0       2.3
         105.0       3.0
         106.0       1.4
         107.0       1.0
         112.5       3.1
         119.0       1.1
         120.0       2.2
         141.0       1.1
         154.0       7.7
         155.0       1.1
         167.0       2.9
         168.0       9.4
         169.0       1.8
         182.0       1.4
         196.0       6.2
         197.0       1.3
         224.0       6.6
         225.0     100.0
         226.0      15.5
         227.0       1.3
    

400 MHz in CDCl3

  • 4998-48-5_1hnmr_0

    1H NMR 399.65 MHz
    C13 H11 N3 O 0.036 g : 0.5 ml CDCl3
    2-(2H-benzotriazol-2-yl)-5-methylphenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.09 B 8.179 C *1 7.916 D *1 7.896 E *2 7.46 F *2 7.44 G 7.131 J 7.083 K 2.381

         Hz     ppm     Int.
    

       4434.05  11.095    527
       3269.96   8.183    146
       3269.50   8.181    149
       3268.59   8.179    157
       3268.13   8.178    152
       3168.95   7.930     32
       3167.27   7.926     44
       3164.37   7.918    419
       3161.32   7.911    268
       3157.65   7.902    251
       3154.75   7.894    446
       3151.86   7.887     54
       3150.18   7.883     42
       2987.21   7.475     37
       2985.69   7.471     54
       2982.79   7.464    439
       2979.58   7.456    231
       2976.23   7.448    258
       2973.02   7.440    387
       2970.28   7.433     51
       2968.60   7.429     34
       2856.60   7.148     57
       2854.46   7.143     56
       2848.21   7.127    121
       2846.07   7.122    127
       2833.56   7.091    332
       2825.16   7.070    154
        951.84   2.382   1000
    

KBr disc

  • 4998-48-5_ir1_2

nujol mull

  • 4998-48-5_ir2_1

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