5-氯戊腈(6280-87-1)核磁圖(¹³CNMR)

產(chǎn)品名稱: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

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

¹H NMR	399.65 MHz
C₅ H₈ Cl N	0.05 ml : 0.5 ml CDCl₃
5-chlorovaleronitrile

    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