2-碘丁烷(513-48-4)ESR圖譜

產(chǎn)品名稱:2-碘丁烷

CAS:513-48-4

分子式:C4H9I

分子量: 184.02

InChI:InChI=1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3

InChIKey: IQRUSQUYPCHEKN-UHFFFAOYSA-N

Smiles:CC(I)CC

Mass

MS-NW-8320          
2-iodobutane
C4H9I               (Mass of molecular ion:    184)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      26.0       1.6
      27.0      12.7
      28.0       3.9
      29.0      53.9
      30.0       1.2
      39.0      11.1
      40.0       1.3
      41.0      46.8
      42.0       3.4
      43.0       1.0
      53.0       1.4
      55.0       4.4
      56.0       2.0
      57.0     100.0
      58.0       4.5
     127.0       3.9
     128.0       1.6
     184.0      11.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₉ I	0.05 ml : 0.5 ml CDCl₃
2-iodobutane

    Assign.     Shift(ppm)

      A             4.164
      B             1.919
      C     *1      1.810
      D     *1      1.690
      E             1.000

     Hz     ppm     Int.

   1681.03   4.207     31
   1676.03   4.194     38
   1674.19   4.190     90
   1673.10   4.187     44
   1669.19   4.177     97
   1667.36   4.173    106
   1666.14   4.169     99
   1662.35   4.160     99
   1661.13   4.157    107
   1659.30   4.152     95
   1655.40   4.143     41
   1654.30   4.140     92
   1652.47   4.135     36
   1647.46   4.123     30
    776.12   1.942     31
    775.76   1.942     31
    769.04   1.925   1000
    762.21   1.908    967
    739.87   1.852     69
    732.54   1.833    113
    725.34   1.815    150
    724.73   1.814    124
    718.02   1.797    139
    717.29   1.795    148
    709.96   1.777    115
    702.76   1.759     43
    694.34   1.738     41
    689.33   1.725     46
    687.13   1.720    113
    682.13   1.707    116
    680.05   1.702    135
    674.93   1.689    134
    672.85   1.684    101
    667.85   1.672     96
    665.41   1.665     72
    660.40   1.653     67
    658.33   1.648     30
    407.10   1.019    613
    399.90   1.001    946
    396.61   0.993     44
    392.58   0.983    550

in CDCl3