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288-94-8

四氮唑(288-94-8)质谱(MS)

产品名称:四氮唑

CAS:288-94-8

分子式:CH2N4

分子量: 70.05

InChI:InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)

InChIKey: KJUGUADJHNHALS-UHFFFAOYSA-N

Smiles:N1=CN=NN1

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    Mass

    MS-NW-9513          
    1H-tetrazole
    CH2N4               (Mass of molecular ion:     70)
    

       Source Temperature: 170 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          12.0       6.5
          13.0      28.6
          14.0      20.2
          15.0       8.3
          16.0       1.5
          17.0       4.5
          18.0      23.4
          21.0       2.0
          26.0       9.7
          27.0      50.7
          28.0      86.8
          29.0      34.3
          40.0       2.2
          41.0      16.7
          42.0     100.0
          43.0      40.4
          44.0       1.6
          70.0      36.8
          71.0      16.8
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C H2 N4 0.042 g : 0.5 ml DMSO-d6
    1H-tetrazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.449

         Hz     ppm     Int.
    

       3776.37   9.450   1000
       3770.51   9.435     25
    

D2O

in DMSO-d6

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KBr disc

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nujol mull

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