1076-97-7

1,4-Cyclohexanedicarboxylic acid(1076-97-7) IR2

Product Name1,4-Cyclohexanedicarboxylic acid

CAS 1076-97-7

Molecular FormulaC8H12O4

Molecular Weight172.18

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

InChIKey PXGZQGDTEZPERC-UHFFFAOYSA-N

SmilesC1(C(O)=O)CCC(C(O)=O)CC1

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1,4-Cyclohexanedicarboxylic acid(1076-97-7) IR2
Mass

MS-NW-2288          
1,4-cyclohexanedicarboxylic acid
C8H12O4             (Mass of molecular ion:    172)

   Source Temperature: 210 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       2.7
      18.0      13.3
      26.0       1.9
      27.0      15.6
      28.0       8.9
      29.0       7.4
      31.0       1.4
      38.0       1.7
      39.0      19.5
      40.0       3.4
      41.0      27.5
      42.0       2.2
      43.0      16.1
      44.0       3.5
      45.0       7.3
      47.0       1.2
      50.0       2.4
      51.0       4.6
      52.0       3.0
      53.0      11.8
      54.0      24.5
      55.0      13.5
      56.0       1.5
      57.0       3.2
      65.0       2.4
      66.0       6.2
      67.0      27.8
      68.0       4.5
      69.0       3.4
      70.0       1.2
      71.0       1.1
      73.0       7.3
      77.0       6.4
      78.0       2.1
      79.0      21.1
      80.0      35.8
      81.0     100.0
      82.0      10.0
      83.0       1.7
      84.0       1.1
      85.0       1.2
      86.0       4.0
      92.0       1.2
      94.0       1.9
      95.0       3.9
      97.0       4.0
      98.0       1.8
      99.0       1.4
     107.0       1.3
     108.0      43.0
     109.0      12.4
     110.0       4.0
     111.0       3.1
     112.0       4.5
     125.0       1.5
     126.0      50.1
     127.0       5.6
     136.0       5.7
     154.0      18.9
     155.0       2.0