628-17-1

1-碘戊烷(628-17-1)质谱(MS)

产品名称:1-碘戊烷

CAS:628-17-1

分子式:C5H11I

分子量: 198.05

InChI:InChI=1S/C5H11I/c1-2-3-4-5-6/h2-5H2,1H3

InChIKey: BLXSFCHWMBESKV-UHFFFAOYSA-N

Smiles:C(I)CCCC

Mass

MS-NW-1478          
1-iodopentane
C5H11I              (Mass of molecular ion:    198)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      26.0       1.2
      27.0      18.8
      28.0       2.5
      29.0      23.1
      39.0      10.6
      40.0       2.0
      41.0      30.1
      42.0       8.3
      43.0     100.0
      44.0       3.4
      53.0       1.3
      55.0       9.9
      71.0      73.2
      72.0       4.3
     127.0       2.1
     141.0       1.2
     155.0       2.3
     198.0       9.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₁ I	0.04 ml : 0.5 ml CDCl₃
1-iodopentane

    Assign.     Shift(ppm)

      A             3.19
      B             1.82
      C             1.40
      D             1.30
      E             0.91

     Hz     ppm     Int.

    292.63   3.268    425
    285.75   3.191   1000
    278.81   3.114    611
    171.31   1.913    135
    171.19   1.912    135
    169.19   1.890     90
    164.19   1.834    197
    163.81   1.830    197
    162.63   1.816    128
    161.81   1.807    112
    159.69   1.784     89
    159.50   1.781     89
    158.94   1.775     94
    157.38   1.758    170
    130.63   1.459    150
    127.56   1.425    220
    126.31   1.411    289
    123.56   1.380    454
    120.88   1.350    349
    120.25   1.343    382
    119.44   1.334    390
    115.94   1.295    373
    114.06   1.274    139
    113.25   1.265    160
    111.75   1.248     99
     88.06   0.984    290
     86.38   0.965    178
     86.06   0.961    176
     84.06   0.939    190
     81.63   0.912    816
     78.50   0.877    146
     77.19   0.862    171
     75.63   0.845    185
     74.25   0.830    135

in CDCl3