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返回ChemicalBook首页>CAS数据库列表>1460-57-7更多图谱> 1,2-环己二醇,顺反混合物(1460-57-7)红外图谱(IR1)

1460-57-7

1,2-环己二醇,顺反混合物(1460-57-7)红外图谱(IR1)

分子式:C6H12O2

分子量: 116.16

InChI:InChI=1/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/s3

InChIKey: PFURGBBHAOXLIO-FJGCHTOXNA-N

Smiles:[C@@H]1(O)CCCC[C@H]1O |&1:0,6,r|

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    Mass

    MS-NW-2259          
    trans-1,2-cyclohexanediol
    C6H12O2             (Mass of molecular ion:    116)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       2.3
          17.0       2.1
          18.0      10.0
          19.0       1.9
          26.0       2.1
          27.0      16.3
          28.0       3.7
          29.0      12.3
          30.0       1.1
          31.0      10.9
          32.0       1.0
          38.0       1.6
          39.0      16.2
          40.0       3.6
          41.0      41.4
          42.0      30.7
          43.0      17.9
          44.0      32.1
          45.0       5.3
          47.0       1.7
          50.0       1.2
          51.0       1.8
          53.0       3.7
          54.0      10.8
          55.0      15.6
          56.0      10.5
          57.0      76.8
          58.0       4.3
          60.0       1.9
          65.0       1.3
          67.0       8.2
          68.0       4.5
          69.0      24.8
          70.0     100.0
          71.0       6.3
          72.0       1.8
          73.0       1.7
          74.0       1.4
          77.0       1.6
          79.0       5.0
          80.0      10.6
          81.0       2.2
          83.0      29.8
          84.0       1.9
          96.0       1.3
          97.0       7.7
          98.0      31.9
          99.0       2.2
         116.0       9.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H12 O2 0.041 g : 0.5 ml CDCl3
    trans-1,2-cyclohexanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.91 B 3.33 C 1.95 D 1.69 E 1.56 to 1.00 THE SHIFT VALUES WERE OBTAINED AT 400MHZ.

         Hz     ppm     Int.
    

        367.63   4.105   1000
        298.50   3.333    287
        173.63   1.939    284
        151.19   1.689    293
        110.75   1.237    523
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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