626-62-0

碘环己烷(626-62-0)质谱(MS)

产品名称:碘环己烷

CAS:626-62-0

分子式:C6H11I

分子量: 210.06

InChI:InChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2

InChIKey: FUCOMWZKWIEKRK-UHFFFAOYSA-N

Smiles:C1(I)CCCCC1

Mass

MS-NW-1098          
iodocyclohexane
C6H11I              (Mass of molecular ion:    210)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      26.0       1.0
      27.0       9.2
      28.0       1.1
      29.0       8.8
      38.0       1.0
      39.0      13.7
      40.0       2.0
      41.0      42.8
      42.0       3.8
      43.0       3.8
      50.0       1.2
      51.0       2.1
      52.0       1.1
      53.0       5.2
      54.0       7.1
      55.0      82.2
      56.0       3.6
      67.0       6.0
      79.0       1.4
      81.0       2.3
      82.0       1.0
      83.0     100.0
      84.0       6.9
     127.0       2.4
     210.0      11.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₁ I	0.04 ml : 0.5 ml CDCl₃
iodocyclohexane

    Assign.     Shift(ppm)

      A             4.370
      B             2.09
      C          1.88 to 1.19

     Hz     ppm     Int.

    404.50   4.517    229
    400.00   4.467    436
    397.13   4.435    107
    395.56   4.417    514
    391.31   4.370    736
    386.88   4.320    549
    382.56   4.272    348
    377.94   4.220    240
    188.13   2.101    889
    167.88   1.875    147
    167.56   1.871    159
    167.25   1.868    166
    145.13   1.621   1000
    138.25   1.544    947
    126.56   1.414    711

in CDCl3