1-碘丁烷(542-69-8)ESR圖譜

產(chǎn)品名稱:1-碘丁烷

CAS:542-69-8

分子式:C4H9I

分子量: 184.02

InChI:InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3

InChIKey: KMGBZBJJOKUPIA-UHFFFAOYSA-N

Smiles:C(I)CCC

Mass

MS-NW-8348          
1-iodobutane
C4H9I               (Mass of molecular ion:    184)

   Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      26.0       2.0
      27.0      18.2
      28.0       6.8
      29.0      61.7
      30.0       1.4
      39.0       8.7
      41.0      50.4
      42.0       2.2
      43.0       1.6
      53.0       1.0
      55.0       4.6
      56.0       1.4
      57.0     100.0
      58.0       4.6
     127.0       3.7
     128.0       1.6
     155.0       2.1
     184.0      15.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₉ I	0.04 ml : 0.5 ml CDCl₃
1-iodobutane

    Assign.     Shift(ppm)

      A             3.195
      B             1.80
      C             1.42
      D             0.93

     Hz     ppm     Int.

    293.56   3.278    343
    286.63   3.201   1000
    279.81   3.125    484
    177.13   1.978     53
    176.19   1.968     58
    170.44   1.904    150
    170.00   1.899    140
    169.13   1.889     86
    168.75   1.885     89
    167.38   1.869     63
    163.00   1.821    235
    161.94   1.809    143
    160.44   1.792    102
    158.63   1.772     42
    157.63   1.761     46
    156.19   1.744    205
    155.38   1.735    210
    153.81   1.718     56
    153.56   1.715     56
    153.19   1.711     58
    149.06   1.665     90
    148.44   1.658     75
    145.38   1.624     76
    139.38   1.557     90
    138.56   1.548     96
    137.69   1.538    144
    136.38   1.523     79
    135.38   1.512     37
    135.00   1.508     33
    134.06   1.497     48
    132.81   1.483    104
    132.13   1.476    122
    131.19   1.465    173
    130.06   1.453    176
    128.81   1.439     66
    127.00   1.419     55
    125.56   1.402    141
    123.31   1.377    194
    120.31   1.344     39
    119.25   1.332     61
    116.69   1.303    150
    116.00   1.296    121
    115.13   1.286     39
    112.81   1.260     43
    110.38   1.233     74
     90.31   1.009    292
     89.38   0.998    488
     85.63   0.957     37
     82.69   0.924    877
     79.00   0.883     51
     76.69   0.857    117
     76.25   0.852    119
     75.31   0.841    217
     73.63   0.823    105

in CDCl3