烯丙基碘 (556-56-9)紅外圖譜(IR1)

產(chǎn)品名稱:烯丙基碘

CAS:556-56-9

分子式:C3H5I

分子量: 167.98

InChI:InChI=1S/C3H5I/c1-2-3-4/h2H,1,3H2

InChIKey: HFEHLDPGIKPNKL-UHFFFAOYSA-N

Smiles:C=CCI

Mass

MS-NW-6072          
3-iodopropene
C3H5I               (Mass of molecular ion:    168)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.8
      26.0       1.2
      27.0       1.6
      37.0       2.3
      38.0       4.9
      39.0      38.5
      40.0       4.8
      41.0     100.0
      42.0       3.7
     127.0       7.4
     128.0       2.1
     168.0      31.8
     169.0       1.2

90 MHz in CDCl3

parameter in CDCl3

¹H NMR	89.56 MHz
C₃ H₅ I	0.05 ml : 0.5 ml CDCl₃
3-iodopropene

    Assign.     Shift(ppm)

      A             6.04
      B             5.24
      C             4.97
      D             3.857
     
     HPM-02-209:IN CCL4

     Hz     ppm     Int.

    564.88   6.308    102
    557.19   6.222    172
    555.19   6.200    127
    549.44   6.135    145
    548.13   6.121    215
    547.56   6.114    214
    544.88   6.084     33
    544.75   6.083     33
    544.31   6.078     30
    543.56   6.070     35
    540.25   6.033    286
    539.75   6.027    196
    538.44   6.013    194
    536.44   5.990     31
    535.81   5.983     32
    534.75   5.971     39
    532.69   5.948    200
    530.81   5.927    283
    523.06   5.841    213
    480.94   5.371     54
    478.56   5.344    261
    477.50   5.332    507
    476.25   5.318    497
    475.25   5.307    241
    473.00   5.282     37
    472.00   5.271     35
    461.81   5.157    183
    460.75   5.145    343
    459.69   5.133    318
    458.50   5.120    168
    456.69   5.100     42
    455.50   5.086     34
    454.81   5.079     33
    449.69   5.022    516
    448.38   5.007    448
    444.94   4.969     34
    444.56   4.964     35
    444.25   4.961     35
    440.00   4.913    410
    438.69   4.899    381
    349.69   3.905   1000
    348.75   3.895    966
    345.25   3.855    105
    341.69   3.816    883
    341.06   3.809    899
    336.25   3.755     58
    335.38   3.745     42
    333.81   3.728     33

¹H NMR	300 MHz
C₃ H₅ I	10 vol% in CCl₄
3-iodopropene

    Parameter     ppm  Hz

      D(A)         6.032
      D(B)         4.952
      D(C)         5.233
      D(D)         3.823
       J(A,B)          9.70
       J(A,C)         16.49
       J(A,D)          7.66
       J(B,C)          1.26
       J(B,D)         -0.43
       J(C,D)         -1.04
     
     BOTHNER-BY,A.A. & GUENTHER,H. DISC.FAR.SOC. 34, 127 (1962)

     Hz     ppm     Int.

   1830.74   6.102    119
   1823.10   6.077    243
   1821.07   6.070    135
   1815.45   6.051    146
   1814.23   6.047    191
   1813.43   6.045    280
   1806.60   6.022    300
   1805.82   6.019    192
   1804.58   6.015    166
   1798.96   5.997    153
   1796.93   5.990    295
   1789.29   5.964    152
   1579.50   5.265    199
   1578.43   5.261    453
   1577.32   5.258    460
   1576.26   5.254    205
   1563.01   5.210    174
   1561.94   5.206    393
   1560.83   5.203    400
   1559.77   5.199    179
   1490.98   4.970    454
   1489.78   4.966    443
   1481.31   4.938    427
   1480.09   4.934    415
   1151.08   3.837   1000
   1150.38   3.835    986
   1143.43   3.811    978
   1142.73   3.809    962

in CDCl3