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288-13-1

吡唑(288-13-1)核磁图(13CNMR)

产品名称:吡唑

CAS:288-13-1

分子式:C3H4N2

分子量: 68.08

InChI:InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)

InChIKey: WTKZEGDFNFYCGP-UHFFFAOYSA-N

Smiles:N1C=CC=N1

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    Mass

    MS-NW-5084          
    pyrazole
    C3H4N2              (Mass of molecular ion:     68)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       2.2
          26.0       1.6
          27.0       3.1
          28.0      17.9
          29.0       1.1
          35.0       2.1
          38.0       2.4
          39.0       5.6
          40.0       9.4
          41.0      16.6
          42.0      39.5
          43.0       4.6
          67.0      10.6
          68.0     100.0
          69.0       4.4
    

parameter in CCl4

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    1H NMR 300 MHz
    C3 H4 N2 0.5 M in CCl4
    pyrazole
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.74 D(B) 6.10 J(A,A') 0.0 J(A,B) 2.1 J(A',B) 2.1 D(C) 13.60 WILLIAMS,J.K. J.ORG.CHEM. 29, 1377 (1964)

         Hz     ppm     Int.
    

       4080.03  13.600    964
       2323.06   7.744    992
       2321.05   7.737   1000
       1832.09   6.107    261
       1830.08   6.100    498
       1828.00   6.093    257
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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