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返回ChemicalBook首页>CAS数据库列表>28230-32-2更多图谱> 3,4-二氢-3-羟基-4-OXO-1,2,3-苯并三嗪(28230-32-2)核磁图(1HNMR)

28230-32-2

3,4-二氢-3-羟基-4-OXO-1,2,3-苯并三嗪(28230-32-2)核磁图(1HNMR)

分子式:C7H5N3O2

分子量: 163.13

InChI:InChI=1S/C7H5N3O2/c11-7-5-3-1-2-4-6(5)8-9-10(7)12/h1-4,12H

InChIKey: HJBLUNHMOKFZQX-UHFFFAOYSA-N

Smiles:N1C2=CC=CC=C2C(=O)N(O)N=1

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    Mass

    MS-IW-1772          
    3-hydroxy-1,2,3-benzotriazin-4(3H)-one
    C7H5N3O2            (Mass of molecular ion:    163)
    

       Source Temperature: 140 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          26.0       1.1
          27.0       1.6
          28.0       4.1
          30.0       2.3
          37.0       8.1
          38.0      11.8
          39.0      20.1
          40.0       2.3
          41.0       2.7
          44.0       1.8
          45.0       3.0
          49.0       3.3
          50.0      32.5
          51.0      20.8
          52.0      59.9
          53.0       9.5
          55.0       1.2
          61.0       3.6
          62.0       7.9
          63.0      40.9
          64.0      43.0
          65.0       9.2
          66.0       4.2
          73.0       2.5
          74.0      10.6
          75.0       9.1
          76.0      35.8
          77.0      24.2
          78.0      12.1
          79.0     100.0
          80.0       7.7
          88.0       1.6
          89.0       6.1
          90.0      60.2
          91.0      12.4
          92.0       6.0
          93.0       1.3
         104.0       8.1
         105.0       9.6
         106.0       4.4
         117.0       1.4
         118.0       6.9
         119.0       4.8
         120.0       1.1
         133.0       4.0
         134.0       1.1
         135.0      12.1
         136.0       1.0
         137.0       2.8
         147.0       3.5
         163.0      51.4
         164.0       4.8
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C7 H5 N3 O2 0.031 g : 0.5 ml DMSO-d6
    3-hydroxy-1,2,3-benzotriazin-4(3H)-one
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.0 B 8.296 C 8.228 D 8.103 E 7.946

         Hz     ppm     Int.
    

       5188.04  12.982     67
       3320.86   8.310    649
       3320.22   8.308    689
       3319.37   8.306    696
       3318.94   8.305    652
       3316.16   8.298     58
       3312.96   8.290    722
       3312.32   8.289    864
       3311.46   8.286    833
       3310.82   8.285    757
       3294.37   8.244    599
       3293.73   8.242    723
       3293.09   8.240    741
       3292.66   8.239    564
       3286.03   8.223    854
       3285.39   8.221    922
       3284.97   8.220   1000
       3284.32   8.218    844
       3246.72   8.124    579
       3245.22   8.121    662
       3242.66   8.114     46
       3239.45   8.106    856
       3237.95   8.102    851
       3236.89   8.100    488
       3233.47   8.091     50
       3231.33   8.086    536
       3229.83   8.082    573
       3183.47   7.966    640
       3182.18   7.963    747
       3179.62   7.957     47
       3179.19   7.955     50
       3176.20   7.948    696
       3175.35   7.946    890
       3174.28   7.943    715
       3171.29   7.936     51
       3168.29   7.928    474
       3167.01   7.925    549
    

in DMSO-d6

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KBr disc

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nujol mull

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