556-48-9

1,4-Cyclohexanediol(556-48-9) IR1

Product Name1,4-Cyclohexanediol

CAS 556-48-9

Molecular FormulaC6H12O2

Molecular Weight116.16

InChIInChI=1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2

InChIKey VKONPUDBRVKQLM-UHFFFAOYSA-N

SmilesC1(O)CCC(O)CC1

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1,4-Cyclohexanediol(556-48-9) IR1
Mass

MS-NW-6820          
1,4-cyclohexanediol
C6H12O2             (Mass of molecular ion:    116)

   Source Temperature: 270 °C
   Sample Temperature: 200 °C
   Reservoir, 75 eV

      15.0       3.3
      18.0       3.2
      19.0       1.9
      26.0       2.3
      27.0      14.9
      28.0       4.3
      29.0      13.9
      30.0       2.6
      31.0      22.7
      38.0       1.4
      39.0      15.8
      40.0       3.4
      41.0      35.4
      42.0      27.9
      43.0      27.2
      44.0      27.1
      45.0       6.5
      47.0       8.0
      50.0       1.4
      51.0       2.0
      52.0       1.0
      53.0       4.8
      54.0      74.5
      55.0      29.8
      56.0       7.7
      57.0      37.7
      58.0     100.0
      59.0      28.4
      60.0       1.9
      65.0       1.2
      67.0       4.1
      68.0       2.3
      69.0      22.1
      70.0      18.9
      71.0       1.8
      77.0       3.3
      78.0       1.2
      79.0       8.9
      80.0      16.9
      81.0       3.5
      83.0      19.2
      84.0       1.1
      97.0       8.2
      98.0      32.8
      99.0       2.3