戊腈(110-59-8)紅外圖譜(IR1)

產(chǎn)品名稱:戊腈

CAS:110-59-8

分子式:C5H9N

分子量: 83.13

InChI:InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3

InChIKey: RFFFKMOABOFIDF-UHFFFAOYSA-N

Smiles:C(#N)CCCC

Mass

MS-IW-2225          
valeronitrile
C5H9N               (Mass of molecular ion:     83)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.3
      26.0       4.4
      27.0      30.2
      28.0      10.8
      29.0      14.7
      37.0       1.7
      38.0       3.2
      39.0      18.0
      40.0       4.8
      41.0      97.7
      42.0       6.2
      43.0     100.0
      44.0       4.2
      50.0       1.7
      51.0       3.1
      52.0       4.6
      53.0       3.2
      54.0      70.4
      55.0      29.3
      56.0       3.2
      64.0       1.4
      66.0       1.7
      68.0       3.1
      82.0       5.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₉ N	0.04 ml : 0.5 ml CDCl₃
valeronitrile

    Assign.     Shift(ppm)

      A             2.342
      B             1.63
      C             1.50
      D             0.959

     Hz     ppm     Int.

    217.69   2.431    189
    216.69   2.420    198
    214.56   2.396     94
    212.31   2.371    186
    211.50   2.362    189
    209.94   2.345    754
    208.38   2.327    115
    205.81   2.299    103
    203.63   2.274    358
    203.06   2.268    316
    161.31   1.802     57
    157.13   1.755     55
    155.06   1.732    121
    154.06   1.721     74
    152.69   1.705    128
    150.56   1.682     67
    148.88   1.663    179
    148.00   1.653    210
    147.06   1.643    183
    146.00   1.631    293
    142.44   1.591    367
    141.38   1.579    323
    138.63   1.548    412
    135.94   1.518    278
    134.44   1.502    226
    133.50   1.491    119
    132.63   1.481     88
    131.31   1.467    172
    130.31   1.456    126
    129.25   1.444    129
    128.06   1.430    168
    126.25   1.410     68
    124.81   1.394    119
    121.69   1.359    117
    120.44   1.345     81
    115.50   1.290     57
    114.75   1.282     48
     92.31   1.031    425
     91.69   1.024    358
     89.00   0.994    125
     88.69   0.991    125
     87.50   0.977    147
     85.75   0.958   1000
     83.00   0.927    301
     81.38   0.909    150
     79.38   0.887    179
     78.31   0.875    209
     76.56   0.855    128

in CDCl3