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网站主页CAS数据库列表 2041-15-8更多图谱1,3,5-环己烷三醇(2041-15-8)红外图谱(IR1)

1,3,5-环己烷三醇

产品名称 1,3,5-环己烷三醇

CAS号2041-15-8

分子式C6H12O3

分子量132.16

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  • Mass

    MS-NW-7671          
    1,3,5-cyclohexanetriol
    C6H12O3             (Mass of molecular ion:    132)
    

       Source Temperature: 200 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          15.0       5.8
          18.0       1.0
          19.0      10.5
          26.0       1.5
          27.0      15.9
          28.0       2.4
          29.0      13.4
          31.0       7.8
          38.0       1.4
          39.0      14.1
          40.0       3.9
          41.0      23.2
          42.0      25.7
          43.0      39.8
          44.0      58.6
          45.0      91.5
          46.0       2.4
          47.0       5.1
          51.0       1.2
          53.0       2.7
          54.0       1.1
          55.0       4.3
          57.0       4.6
          58.0       3.2
          65.0       1.5
          66.0       1.3
          67.0      11.0
          68.0      17.1
          69.0       4.9
          70.0      24.2
          71.0       8.0
          72.0       1.1
          73.0     100.0
          74.0       3.7
          78.0       1.1
          81.0       1.1
          86.0       2.5
          91.0       7.1
          95.0       1.9
          96.0      14.8
          97.0       1.6
         113.0       1.2
         114.0       9.1
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C6 H12 O3 0.040 g : 0.5 ml DMSO-d6
    1,3,5-cyclohexanetriol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.62 B 3.348 C 1.957 D 0.966

         Hz     ppm     Int.
    

       1848.88   4.627   1000
       1844.12   4.615    967
       1352.17   3.384    157
       1347.66   3.373    182
       1346.68   3.370    173
       1344.85   3.366    198
       1344.48   3.365    198
       1341.06   3.356    302
       1336.91   3.346    301
       1333.62   3.337    193
       1332.89   3.336    192
       1332.52   3.335    191
       1329.96   3.328    187
       1325.56   3.317    153
        787.96   1.972    329
        783.81   1.962    245
        780.76   1.954    255
        777.10   1.945    332
        402.71   1.008    193
        391.24   0.979    488
        385.62   0.965     91
        379.88   0.951    467
        368.41   0.922    162
    

in DMSO-d6

in D2O





KBr disc



nujol mull