1,2,3,4,5,6-Cyclohexanehexacarboxylic acid(2216-84-4) IR1

Product Name1,2,3,4,5,6-Cyclohexanehexacarboxylic acid

CAS 2216-84-4

Molecular FormulaC12H12O12

Molecular Weight348.22

InChIInChI=1S/C12H12O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)

InChIKey DTGRIEIJTWNZQF-UHFFFAOYSA-N

SmilesC1(C(O)=O)C(C(O)=O)C(C(O)=O)C(C(O)=O)C(C(O)=O)C1C(O)=O

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IR1

IR2

1,2,3,4,5,6-Cyclohexanehexacarboxylic acid(2216-84-4) IR1
Mass

MS-IW-8165          
1,2,3,4,5,6-cyclohexanehexacarboxylic acid
C12H12O12 H2O       (Mass of molecular ion:    348)

   Source Temperature: 190 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      16.0       1.5
      17.0       7.0
      18.0      37.1
      26.0       3.6
      27.0       2.6
      28.0      44.3
      29.0       1.3
      37.0       1.6
      38.0       5.3
      38.5       1.3
      39.0      18.5
      41.0       1.0
      44.0      56.8
      45.0       3.4
      50.0       8.9
      51.0      13.1
      52.0       9.6
      52.5       1.0
      53.0       4.5
      55.0       1.1
      57.0       1.1
      63.0       3.7
      65.0       1.5
      66.0       1.6
      74.0       2.4
      75.0       1.4
      76.0       2.9
      77.0      14.9
      78.0     100.0
      79.0      22.5
      80.0       1.9
      94.0       1.1
      95.0       1.0
     104.0       1.6
     105.0      14.5
     106.0       3.4
     122.0       7.8
     123.0      15.9
     124.0       4.4
     132.0       1.0
     134.0       1.2
     149.0       4.5
     150.0      43.7
     151.0       4.4
     166.0       1.7
     167.0       2.7
     168.0       2.0
     174.0       1.0
     178.0       2.0
     194.0       1.9
     204.0       4.3
     222.0       5.7
     250.0       1.1

KBr disc