13284-42-9

2-戊烯腈(13284-42-9)质谱(MS)

产品名称:2-戊烯腈

CAS:13284-42-9

分子式:C5H7N

分子量: 81.12

InChI:InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3

InChIKey: ISBHMJZRKAFTGE-UHFFFAOYSA-N

Smiles:C(#N)C=CCC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-2968          
2-pentenenitrile
C5H7N               (Mass of molecular ion:     81)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.0
      26.0       8.7
      27.0      20.3
      28.0      31.6
      29.0       3.7
      37.0       4.8
      38.0       7.3
      39.0      37.2
      40.0       5.2
      41.0      53.6
      42.0       2.7
      49.0       1.2
      50.0       4.7
      51.0       7.4
      52.0      11.7
      53.0      17.8
      54.0     100.0
      55.0       5.9
      63.0       1.0
      64.0       5.1
      65.0       1.7
      66.0      16.1
      75.0       1.0
      80.0      15.8
      81.0      35.9
      82.0       2.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₇ N	0.04 ml : 0.5 ml CDCl₃
2-pentenenitrile

    Assign.     Shift(ppm)

      A             6.496
      B             5.299
      C             2.43
      D             1.108
     
     J(A,B)=10.9HZ
     J(B,C)=-1.4HZ
     J(A,C)=7.6HZ

     Hz     ppm     Int.

    595.38   6.648     88
    587.81   6.564    174
    584.56   6.528    104
    580.25   6.479     95
    577.00   6.443    207
    569.38   6.358    111
    480.81   5.369    142
    479.50   5.354    266
    478.13   5.339    138
    469.94   5.248    116
    468.63   5.233    220
    467.25   5.218    116
    234.69   2.621     36
    234.19   2.615     38
    233.38   2.606     38
    232.88   2.601     30
    226.69   2.532    174
    225.94   2.523    133
    225.44   2.518    148
    219.25   2.449    268
    217.94   2.434    237
    211.56   2.363    213
    210.94   2.356    158
    210.25   2.348    178
    204.56   2.285     51
    204.06   2.279     53
    203.25   2.270     55
    106.13   1.186    519
     98.75   1.103   1000
     91.13   1.018    390

in CDCl3