1-碘己烷(638-45-9)核磁圖(¹³CNMR)

產(chǎn)品名稱:1-碘己烷

CAS:638-45-9

分子式:C6H13I

分子量: 212.07

InChI:InChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3

InChIKey: ANOOTOPTCJRUPK-UHFFFAOYSA-N

Smiles:C(I)CCCCC

Mass

MS-NW-1227          
1-iodohexane
C6H13I              (Mass of molecular ion:    212)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0      14.4
      28.0       3.4
      29.0      15.2
      39.0       6.6
      40.0       1.1
      41.0      25.1
      42.0       3.4
      43.0     100.0
      44.0       3.2
      53.0       1.0
      55.0       6.3
      56.0       2.1
      57.0      10.7
      85.0      49.9
      86.0       3.4
     155.0       1.8
     212.0       4.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₃ I	0.04 ml : 0.5 ml CDCl₃
1-iodohexane

    Assign.     Shift(ppm)

      A             3.183
      B             1.83
      C          1.50 to 1.15
      D             0.90

     Hz     ppm     Int.

    292.69   3.269    381
    285.69   3.190   1000
    278.63   3.112    573
    170.00   1.899     92
    169.19   1.890     99
    168.25   1.879     87
    166.44   1.859     76
    163.00   1.821    163
    156.50   1.748    154
    154.25   1.723     65
    150.94   1.686     50
    150.63   1.682     50
    149.81   1.673     58
    134.50   1.502     35
    131.25   1.466    107
    130.63   1.459    107
    130.31   1.456    107
    129.44   1.446    103
    126.94   1.418    157
    124.94   1.396    185
    120.25   1.343    531
    118.56   1.324    559
    115.69   1.292    745
    112.25   1.254    174
    111.94   1.250    174
    111.50   1.245    175
    108.63   1.213    133
    104.63   1.169     54
    102.69   1.147     37
     87.44   0.977    134
     85.63   0.957    223
     82.69   0.924    187
     80.13   0.895    835
     76.63   0.856    129
     74.13   0.828    144
     73.25   0.818    142
     70.88   0.792     53
     70.13   0.784     57
     70.00   0.782     57

in CDCl3