616-14-8

1-碘-2-甲基丁烷(616-14-8)核磁图(¹³CNMR)

产品名称:1-碘-2-甲基丁烷

CAS:616-14-8

分子式:C5H11I

分子量: 198.05

InChI:InChI=1S/C5H11I/c1-3-5(2)4-6/h5H,3-4H2,1-2H3

InChIKey: RHBHXHXNWHTGSO-UHFFFAOYSA-N

Smiles:C(I)C(C)CC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9725          
1-iodo-2-methylbutane
C5H11I              (Mass of molecular ion:    198)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0      11.4
      28.0       1.5
      29.0      22.4
      38.0       1.0
      39.0      11.1
      40.0       1.7
      41.0      35.2
      42.0       7.4
      43.0      99.7
      44.0       3.3
      53.0       2.1
      55.0      17.0
      56.0       1.4
      69.0       1.2
      70.0       1.9
      71.0     100.0
      72.0       5.6
     127.0       2.9
     128.0       3.6
     141.0       1.0
     169.0       2.5
     198.0      10.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₁ I	0.05 ml : 0.5 ml CDCl₃
1-iodo-2-methylbutane

    Assign.     Shift(ppm)

      A     *1      3.229
      B     *1      3.171
      C             1.40
      D             1.268
      E             0.977
      F             0.892

     Hz     ppm     Int.

   1299.32   3.252    160
   1294.68   3.240    149
   1289.67   3.227    314
   1285.03   3.216    279
   1273.56   3.187    270
   1267.70   3.173    284
   1263.92   3.163    133
   1258.18   3.149    139
    579.59   1.451     49
    573.85   1.436     96
    572.39   1.433     57
    568.60   1.423     63
    566.53   1.418    128
    565.06   1.414     68
    563.72   1.411     73
    562.26   1.407    127
    561.28   1.405    134
    559.33   1.400     89
    557.25   1.395    145
    556.40   1.393    163
    551.39   1.380    130
    550.17   1.377    132
    545.29   1.365     88
    539.31   1.350     39
    519.41   1.300     44
    518.55   1.298     55
    513.55   1.285     70
    512.21   1.282     88
    505.86   1.266    100
    504.88   1.264    106
    498.41   1.248     90
    393.80   0.986    957
    387.33   0.970    900
    368.65   0.923     45
    364.01   0.911    474
    356.69   0.893   1000
    352.17   0.882     67
    349.37   0.875    576

in CDCl3