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网站主页CAS数据库列表 621-59-0更多图谱异香兰素(621-59-0)核磁图(13CNMR)

异香兰素

产品名称 异香兰素

CAS号621-59-0

分子式C8H8O3

分子量152.15

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  • Mass

    MS-NW-4902          
    3-hydroxy-4-methoxybenzaldehyde
    C8H8O3              (Mass of molecular ion:    152)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       2.9
          18.0       1.3
          26.0       1.7
          27.0       8.3
          28.0       4.2
          29.0       5.2
          31.0       1.8
          37.0       1.7
          38.0       3.1
          39.0       7.5
          41.0       3.6
          49.0       1.1
          50.0       5.6
          51.0      11.2
          52.0      11.5
          53.0       9.1
          54.0       1.0
          55.0       4.4
          61.0       1.5
          62.0       2.8
          63.0       5.4
          64.0       1.3
          65.0       8.5
          66.0       1.0
          67.0       3.4
          77.0       5.1
          79.0       5.3
          80.0       4.8
          81.0      26.7
          82.0       1.6
          91.0       1.2
          93.0       2.5
          95.0       2.5
         108.0       8.0
         109.0      19.0
         110.0       1.4
         119.0       1.4
         123.0      14.7
         124.0       2.1
         136.0       2.0
         137.0       5.8
         151.0      93.8
         152.0     100.0
         153.0       9.1
         154.0       1.0
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H8 O3 0.047 g : 0.5 ml CDCl3
    3-hydroxy-4-methoxybenzaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.827 B 7.440 C 7.417 D 6.968 E 6.12 F 3.968 J(B,C)=1.9HZ. J(C,D)=8.8HZ.

         Hz     ppm     Int.
    

        880.22   9.829    255
        670.61   7.488     35
        668.63   7.466    145
        667.24   7.451    215
        665.48   7.431    194
        661.82   7.390    165
        659.84   7.368     87
        627.83   7.011    132
        619.12   6.913     90
        547.85   6.118     75
        355.44   3.969   1000
    

in CDCl3



KBr disc



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