20601-38-1

4,4'-二羟基二环己烷(20601-38-1)质谱(MS)

产品名称:4,4'-二羟基二环己烷

CAS:20601-38-1

分子式:C12H22O2

分子量: 198.3

InChI:InChI=1S/C12H22O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h9-14H,1-8H2

InChIKey: MZXNOAWIRQFYDB-UHFFFAOYSA-N

Smiles:C1(C2CCC(O)CC2)CCC(O)CC1

IR1

IR2

Mass

MS-NW-9598          
bicyclohexyl-4,4'-diol
C12H22O2            (Mass of molecular ion:    198)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      17.0       5.0
      18.0      26.2
      19.0       1.6
      27.0       5.8
      28.0       1.6
      29.0       8.3
      31.0       3.5
      39.0       6.3
      41.0      18.9
      42.0       2.7
      43.0      13.9
      44.0       2.4
      45.0      24.2
      51.0       1.0
      53.0       5.8
      54.0      12.1
      55.0      27.4
      56.0       2.8
      57.0      12.1
      58.0       1.9
      59.0       1.9
      65.0       2.4
      66.0       3.5
      67.0      40.6
      68.0       5.4
      69.0       6.7
      70.0       4.5
      71.0       1.5
      77.0       4.4
      78.0      13.5
      79.0      40.3
      80.0      49.1
      81.0     100.0
      82.0      19.3
      83.0       9.7
      84.0       1.4
      91.0      11.4
      92.0       6.5
      93.0      11.2
      94.0      41.2
      95.0      14.2
      96.0       3.8
      97.0       5.2
      98.0       2.1
      99.0       2.6
     104.0       1.2
     105.0       5.5
     106.0       4.3
     107.0      18.5
     108.0       7.5
     109.0       2.5
     117.0       1.0
     119.0       8.2
     120.0      10.0
     121.0      13.7
     122.0       2.7
     123.0       3.4
     124.0       2.5
     125.0       1.0
     133.0      16.5
     134.0      12.2
     135.0       2.0
     136.0       3.1
     137.0       5.2
     147.0       8.3
     148.0       1.0
     151.0       3.1
     160.0       1.3
     161.0       1.0
     162.0      21.9
     163.0       3.8
     178.0       1.0
     180.0       1.1

KBr disc