1-碘壬烷(4282-42-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:1-碘壬烷

CAS:4282-42-2

分子式:C9H19I

分子量: 254.15

InChI:InChI=1S/C9H19I/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3

InChIKey: OGSJMFCWOUHXHN-UHFFFAOYSA-N

Smiles:C(I)CCCCCCCC

Mass

MS-NW-9981          
1-iodononane
C9H19I              (Mass of molecular ion:    254)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0      12.7
      28.0       2.6
      29.0      22.5
      39.0       8.4
      40.0       1.7
      41.0      46.6
      42.0       9.3
      43.0     100.0
      44.0       4.5
      53.0       2.2
      54.0       1.2
      55.0      20.6
      56.0       6.1
      57.0      85.9
      58.0       4.1
      67.0       1.0
      69.0       5.3
      70.0       1.8
      71.0      89.3
      72.0       5.1
      83.0       1.2
      85.0      47.0
      86.0       3.1
     127.0      12.3
     128.0       1.2
     155.0       4.1
     254.0       2.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₉ I	0.05 ml : 0.5 ml CDCl₃
1-iodononane

    Assign.     Shift(ppm)

      A             3.18
      B             1.82
      C             1.40
      D             1.285
      E             0.88

     Hz     ppm     Int.

    292.06   3.262    146
    285.13   3.184    345
    278.25   3.107    205
    170.13   1.900     58
    169.81   1.897     58
    167.94   1.876     54
    167.44   1.870     52
    166.63   1.861     54
    163.13   1.822     89
    159.50   1.781     55
    159.06   1.777     55
    156.56   1.749     75
    152.31   1.701     34
    151.88   1.696     34
    151.44   1.691     34
    150.75   1.684     34
    150.31   1.679     34
    137.50   1.536     34
    136.63   1.526     34
    136.31   1.522     35
    136.13   1.520     35
    135.13   1.509     36
    129.38   1.445     71
    129.06   1.442     72
    128.56   1.436     74
    125.63   1.403     96
    115.13   1.286   1000
    101.44   1.133     45
    100.25   1.120     39
     99.44   1.111     36
     98.94   1.105     34
     97.94   1.094     31
     84.25   0.941    116
     83.88   0.937    116
     82.00   0.916    109
     81.69   0.913    110
     78.94   0.882    296
     72.94   0.815     78

in CDCl3