46022-05-3

(1R,2R)-1,2-环己烷二甲酸(46022-05-3)质谱(MS)

产品名称:(1R,2R)-1,2-环己烷二甲酸

CAS:46022-05-3

分子式:C8H12O4

分子量: 172.18

InChI:InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1

InChIKey: QSAWQNUELGIYBC-PHDIDXHHSA-N

Smiles:[C@@H]1(C(O)=O)CCCC[C@H]1C(O)=O

IR1

IR2

Mass

MS-IW-9944          
(1R-trans)-1,2-cyclohexanedicarboxylic acid
C8H12O4             (Mass of molecular ion:    172)

   Source Temperature: 150 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       1.1
      17.0       6.2
      18.0      31.5
      26.0       4.0
      27.0      21.6
      28.0      37.1
      29.0      11.6
      31.0       5.7
      37.0       1.4
      38.0       3.5
      39.0      29.7
      40.0       5.7
      41.0      34.7
      42.0       4.1
      43.0      20.6
      44.0       8.8
      45.0      11.0
      47.0       1.6
      50.0       6.9
      51.0      11.8
      52.0       9.4
      53.0      17.3
      54.0      37.5
      55.0      22.8
      56.0      10.0
      57.0       4.4
      59.0       3.4
      60.0       7.4
      61.0       5.1
      62.0       1.4
      63.0       3.2
      64.0       1.0
      65.0       5.6
      66.0       7.8
      67.0      62.1
      68.0      19.2
      69.0       8.9
      70.0       1.4
      71.0       2.5
      72.0       1.1
      73.0      17.9
      74.0       4.5
      75.0       1.1
      76.0       1.3
      77.0      23.8
      78.0      12.8
      79.0      55.6
      80.0      38.9
      81.0     100.0
      82.0      51.7
      83.0       8.1
      84.0       1.7
      85.0       2.8
      86.0       3.9
      87.0       5.3
      89.0       3.9
      90.0       4.3
      91.0       8.5
      92.0       5.6
      94.0       1.9
      95.0       3.2
      97.0       6.0
      98.0       2.2
      99.0      17.6
     100.0       3.8
     105.0       7.0
     106.0       3.6
     107.0       5.9
     108.0      45.3
     109.0      15.8
     110.0       5.0
     111.0       3.4
     112.0       3.4
     113.0       1.8
     118.0       6.4
     119.0       1.1
     125.0       2.0
     126.0      43.5
     127.0       9.7
     128.0      32.6
     129.0       2.7
     134.0       1.6
     136.0       6.1
     140.0       1.0
     154.0      17.4
     155.0       8.8
     156.0       1.0
     182.0       2.5

KBr disc