1,3,5-環(huán)己烷三醇(2041-15-8)紅外圖譜(IR1)

產(chǎn)品名稱:1,3,5-環(huán)己烷三醇

CAS:2041-15-8

分子式:C6H12O3

分子量: 132.16

InChI:InChI=1S/C6H12O3/c7-4-1-5(8)3-6(9)2-4/h4-9H,1-3H2

InChIKey: FSDSKERRNURGGO-UHFFFAOYSA-N

Smiles:C1(O)CC(O)CC(O)C1

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

    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