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872-50-4

N-甲基吡咯烷酮(872-50-4)质谱(MS)

产品名称:N-甲基吡咯烷酮

CAS:872-50-4

分子式:C5H9NO

分子量: 99.13

InChI:InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3

InChIKey: SECXISVLQFMRJM-UHFFFAOYSA-N

Smiles:N1(C)CCCC1=O

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    Mass

    MS-IW-9653          
    1-methyl-2-pyrrolidinone
    C5H9NO              (Mass of molecular ion:     99)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       8.2
          18.0       3.4
          26.0       2.8
          27.0       9.6
          28.0      22.7
          29.0       2.6
          30.0       6.8
          38.0       1.7
          39.0      10.4
          40.0       7.2
          41.0      47.5
          42.0      67.7
          43.0      21.1
          44.0     100.0
          45.0       2.6
          54.0       1.9
          55.0       3.7
          56.0       8.8
          57.0       1.7
          58.0       5.9
          68.0       3.8
          69.0       4.4
          70.0      10.9
          71.0      13.4
          98.0      70.3
          99.0      96.8
         100.0       7.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C5 H9 N O 0.05 ml : 0.5 ml CDCl3
    1-methyl-2-pyrrolidinone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.412 B 2.846 C 2.364 D 2.043

         Hz     ppm     Int.
    

       1370.97   3.431    325
       1367.31   3.422     58
       1363.89   3.413    398
       1360.47   3.405     52
       1359.01   3.401     36
       1356.69   3.395    324
       1138.55   2.849    831
       1137.82   2.848   1000
       1136.96   2.845    731
        953.13   2.385    172
        950.20   2.378     34
        949.22   2.376     41
        945.19   2.366    294
        941.28   2.356     37
        940.31   2.353     38
        936.89   2.345    206
        830.69   2.079     95
        827.51   2.071     35
        823.61   2.061    219
        822.39   2.058    172
        819.95   2.052     55
        816.28   2.043    219
        815.92   2.042    217
        815.06   2.040    191
        811.77   2.032     50
        809.33   2.026     87
        808.11   2.023    195
        806.88   2.019    109
        800.54   2.004     68
        800.17   2.003     68
    

in CDCl3

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liquid film

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