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616-45-5

2-吡咯烷酮(616-45-5)红外图谱(IR2)

产品名称:2-吡咯烷酮

CAS:616-45-5

分子式:C4H7NO

分子量: 85.1

InChI:InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)

InChIKey: HNJBEVLQSNELDL-UHFFFAOYSA-N

Smiles:N1CCCC1=O

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    Mass

    MS-NW-4213          
    2-pyrrolidone
    C4H7NO              (Mass of molecular ion:     85)
    

       Source Temperature: 230 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.5
          15.0       3.0
          18.0       1.4
          26.0       6.6
          27.0      16.1
          28.0      45.5
          29.0      15.0
          30.0      69.8
          31.0       1.1
          32.0       1.4
          37.0       1.2
          38.0       1.7
          39.0       9.4
          40.0      13.5
          41.0      61.8
          42.0      73.9
          43.0       2.8
          44.0       2.2
          52.0       1.5
          54.0       2.2
          55.0       3.9
          56.0      11.5
          57.0       1.6
          84.0      19.4
          85.0     100.0
          86.0       5.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C4 H7 N O 0.05 ml : 0.5 ml CDCl3
    2-pyrrolidone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.71 B 3.404 C 2.294 D 2.117

         Hz     ppm     Int.
    

       3082.76   7.714     95
       1373.78   3.438     35
       1367.43   3.422    612
       1364.50   3.415    137
       1360.60   3.405    997
       1353.52   3.387    670
        931.15   2.330     36
        925.90   2.317    501
        921.88   2.307    115
        918.33   2.298   1000
        913.70   2.287    132
        909.91   2.277    821
        859.62   2.151    239
        856.45   2.144     90
        852.91   2.135    579
        851.81   2.132    451
        845.46   2.116    647
        837.65   2.096    475
        836.18   2.093    320
        830.32   2.078    137
        829.47   2.076    153
    

in CDCl3

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CCl4 solution

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liquid film

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