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6280-87-1

5-氯戊腈(6280-87-1)质谱(MS)

产品名称:5-氯戊腈

CAS:6280-87-1

分子式:C5H8ClN

分子量: 117.58

InChI:InChI=1S/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2

InChIKey: JSAWFGSXRPCFSW-UHFFFAOYSA-N

Smiles:C(#N)CCCCCl

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    Mass

    MS-IW-8109          
    5-chlorovaleronitrile
    C5H8ClN             (Mass of molecular ion:    117)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       2.5
          27.0      11.9
          28.0       6.5
          29.0       2.5
          36.0       1.0
          37.0       1.0
          38.0       1.9
          39.0      11.9
          40.0       2.3
          41.0      53.8
          42.0       3.5
          49.0       5.9
          50.0       1.2
          51.0       3.4
          52.0       3.0
          53.0       5.2
          54.0     100.0
          55.0      31.6
          56.0       1.4
          62.0       1.8
          63.0       4.1
          64.0       1.1
          65.0       1.4
          66.0       2.0
          67.0       1.0
          68.0       6.5
          75.0       2.5
          77.0       2.3
          80.0       4.9
          81.0       2.7
          82.0      18.3
          83.0       1.0
          90.0       1.1
         118.0       2.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C5 H8 Cl N 0.05 ml : 0.5 ml CDCl3
    5-chlorovaleronitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.593 B 2.418 C 1.933 D 1.842

         Hz     ppm     Int.
    

       1442.38   3.610    565
       1440.06   3.604     74
       1438.96   3.601     85
       1436.16   3.594    950
       1430.05   3.579    672
        973.39   2.436    578
        966.43   2.419   1000
        959.47   2.401    608
        789.06   1.975     71
        787.72   1.972     65
        783.08   1.960    149
        781.98   1.957    163
        781.13   1.955    175
        778.08   1.947    115
        776.12   1.942    243
        774.29   1.938    219
        773.68   1.936    225
        773.07   1.935    199
        771.97   1.932    197
        770.02   1.927    159
        767.21   1.920    370
        765.63   1.916    164
        763.31   1.910     51
        761.47   1.906    161
        760.25   1.903     90
        759.52   1.901     96
        750.61   1.879     89
        750.12   1.877     82
        748.54   1.873    166
        744.02   1.862    115
        741.94   1.857    382
        740.11   1.852    162
        737.92   1.847    144
        737.30   1.845    135
        735.11   1.840    348
        733.28   1.835    301
        730.83   1.829     89
        730.10   1.827     89
        728.03   1.822    195
        726.44   1.818    244
        720.95   1.804     68
        719.48   1.801     74
    

in CDCl3

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liquid film

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