ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>452-86-8更多图谱> 4-甲基儿茶酚(452-86-8)核磁图(13CNMR)

452-86-8

4-甲基儿茶酚(452-86-8)核磁图(13CNMR)

产品名称:4-甲基儿茶酚

CAS:452-86-8

分子式:C7H8O2

分子量: 124.14

InChI:InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3

InChIKey: ZBCATMYQYDCTIZ-UHFFFAOYSA-N

Smiles:C1(O)=CC=C(C)C=C1O

  • 图谱
    Mass

    MS-NW-4773          
    4-methylpyrocatechol
    C7H8O2              (Mass of molecular ion:    124)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.2
          26.0       1.2
          27.0       4.5
          28.0       2.2
          29.0       1.9
          37.0       1.3
          38.0       3.1
          39.0      10.5
          40.0       2.4
          41.0       5.0
          43.0       1.8
          50.0       4.2
          51.0      13.2
          52.0       6.4
          53.0       2.7
          55.0       6.6
          62.0       2.9
          63.0       2.7
          65.0       3.1
          66.0       3.2
          67.0       4.5
          76.0       1.3
          77.0      17.3
          78.0      45.5
          79.0       4.7
          81.0       1.9
          94.0       2.0
          95.0       7.1
          96.0       1.5
         105.0       6.1
         106.0       7.6
         107.0      11.2
         108.0       1.2
         123.0      54.2
         124.0     100.0
         125.0       7.9
    

90 MHz in CDCl3

  • 图谱

    1H NMR 89.56 MHz
    C7 H8 O2 0.046 g : 0.5 ml CDCl3
    4-methylpyrocatechol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.716 B 6.656 C 6.582 D 5.7 E 2.190

         Hz     ppm     Int.
    

        607.38   6.782     99
        599.25   6.692    281
        597.94   6.677     99
        597.31   6.670    141
        596.69   6.663    152
        595.94   6.655    198
        595.31   6.648    210
        594.75   6.641    139
        592.50   6.616    168
        591.88   6.609    160
        591.25   6.602     92
        590.63   6.595     93
        589.94   6.588     84
        584.63   6.528     50
        584.00   6.521     53
        583.31   6.514     34
        582.69   6.507     39
        582.13   6.500     37
        509.19   5.686     78
        196.25   2.192   1000
        193.06   2.156     42
    

in CDCl3

  • 图谱

KBr disc

  • 图谱

nujol mull

  • 图谱

  • 图谱

×