六氢邻苯二甲酸

Mass

MS-NW-0391          
cis-1,2-cyclohexanedicarboxylic acid
C8H12O4             (Mass of molecular ion:    172)

   Source Temperature: 160 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      17.0       1.3
      18.0       6.4
      26.0       1.9
      27.0      15.8
      28.0       3.3
      29.0       7.1
      31.0       1.4
      38.0       1.4
      39.0      20.7
      40.0       3.4
      41.0      29.0
      42.0       2.6
      43.0      11.7
      44.0       1.1
      45.0       7.9
      47.0       1.1
      50.0       2.0
      51.0       4.3
      52.0       2.3
      53.0      12.4
      54.0      28.7
      55.0      12.1
      56.0       2.9
      57.0       2.8
      60.0       2.5
      65.0       2.1
      66.0       9.5
      67.0      47.5
      68.0      11.9
      69.0       3.0
      70.0       1.7
      71.0       1.2
      73.0      10.6
      77.0       4.5
      78.0       1.0
      79.0      12.8
      80.0      31.4
      81.0      90.8
      82.0      36.0
      83.0       3.6
      84.0       1.3
      85.0       1.7
      86.0       4.8
      87.0       5.5
      94.0       2.6
      95.0       4.4
      97.0       8.6
      98.0       2.0
      99.0       8.3
     100.0       3.7
     107.0       1.1
     108.0      47.5
     109.0       7.2
     110.0       1.3
     111.0       4.7
     112.0       5.4
     113.0       1.0
     117.0       1.2
     125.0       2.1
     126.0     100.0
     127.0       9.2
     128.0       5.1
     136.0       2.8
     154.0      31.2
     155.0       3.8

Assign. Shift(ppm) A 12.04 B 2.67 C 1.87 D 1.67 E 1.37 ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   4809.95  12.036    520
   1072.44   2.684    639
   1068.23   2.673    890
   1064.01   2.663    674
    759.23   1.900    333
    751.72   1.881    413
    745.85   1.867    506
    738.53   1.848    344
    728.64   1.824     38
    726.99   1.820     30
    676.25   1.693    410
    672.04   1.682    489
    668.92   1.674    421
    668.37   1.673    421
    665.44   1.666    394
    663.61   1.661    428
    660.68   1.654    348
    658.85   1.649    365
    658.48   1.648    364
    655.74   1.641    300
    646.39   1.618     40
    645.30   1.615     31
    577.16   1.445     33
    576.42   1.443     37
    565.25   1.415    216
    549.32   1.375    976
    545.65   1.366   1000
    543.09   1.359    900
    533.93   1.336    282
    533.56   1.336    281
    529.17   1.325    224
    520.38   1.303     63
    517.26   1.295     36
    516.90   1.294     35
    516.16   1.292     31