16529-56-9

2-甲基-3-丁烯腈(16529-56-9)核磁圖(¹HNMR)

產(chǎn)品名稱:2-甲基-3-丁烯腈

CAS:16529-56-9

分子式:C5H7N

分子量: 81.12

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

InChIKey: WBAXCOMEMKANRN-UHFFFAOYSA-N

Smiles:C(#N)C(C)C=C

¹HNMR

¹³CNMR

Mass

MS-IW-9170          
2-methyl-3-butenenitrile
C5H7N               (Mass of molecular ion:     81)

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

      15.0       2.2
      26.0      10.5
      27.0      29.0
      28.0      30.6
      29.0       4.5
      37.0       6.4
      38.0       9.5
      39.0      51.4
      40.0       6.6
      41.0      77.9
      42.0       6.2
      49.0       1.9
      50.0       6.2
      51.0       9.6
      52.0      14.7
      53.0      28.6
      54.0     100.0
      55.0       9.6
      63.0       1.7
      64.0       5.9
      65.0       2.6
      66.0      43.0
      67.0       2.2
      75.0       1.1
      79.0       1.3
      80.0      19.5
      81.0      45.7
      82.0       3.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₇ N	0.05 ml : 0.5 ml CDCl₃
2-methyl-3-butenenitrile

    Assign.     Shift(ppm)

      A             5.768
      B             5.424
      C             5.261
      D             3.355
      E             1.417

     Hz     ppm     Int.

   2322.63   5.812     96
   2317.02   5.798     96
   2312.50   5.787    105
   2306.88   5.773    111
   2305.54   5.769    125
   2300.05   5.756    121
   2295.41   5.744    128
   2289.92   5.730    130
   2176.15   5.446    193
   2174.80   5.442    185
   2174.44   5.441    184
   2159.06   5.403    149
   2157.71   5.399    150
   2108.03   5.275    178
   2106.93   5.272    178
   2097.90   5.250    161
   2096.80   5.247    160
   1354.49   3.390     31
   1348.88   3.376     75
   1347.29   3.372    100
   1345.70   3.368     55
   1343.26   3.362     56
   1341.67   3.358    128
   1340.09   3.354    126
   1338.50   3.350     56
   1336.06   3.344     53
   1334.47   3.340    100
   1332.89   3.336     74
   1327.27   3.322     31
    570.31   1.428   1000
    562.99   1.409    962

in CDCl3