5515-64-0

REL-(1R,3R)-环己烷-1,3-二醇(5515-64-0)核磁图(¹³CNMR)

产品名称:REL-(1R,3R)-环己烷-1,3-二醇

CAS:5515-64-0

分子式:C6H12O2

分子量: 116.16

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

InChIKey: RLMGYIOTPQVQJR-FJGCHTOXNA-N

Smiles:[C@@H]1(O)CCC[C@@H](O)C1 |&1:0,5,r|

Mass

MS2010-04408CW      
trans-1,3-cyclohexanediol
C6H12O2             (Mass of molecular ion:    116)

   Source Temperature: 245 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      15.0       3.2
      18.0       2.5
      19.0       4.3
      26.0       2.0
      27.0      19.3
      28.0       5.3
      29.0      12.0
      31.0       9.7
      38.0       1.8
      39.0      21.0
      40.0       4.0
      41.0      32.6
      42.0      33.6
      43.0      42.8
      44.0      82.2
      45.0      25.2
      47.0       8.9
      50.0       1.4
      51.0       2.5
      53.0       5.7
      54.0      53.2
      55.0      23.0
      56.0       5.8
      57.0      37.8
      58.0       3.1
      59.0       1.9
      60.0       1.0
      65.0       1.1
      67.0       4.0
      68.0       1.4
      69.0      15.2
      70.0      66.0
      71.0       7.7
      72.0       1.7
      73.0      31.6
      74.0       1.5
      75.0       1.8
      77.0       1.9
      79.0       5.7
      80.0      26.4
      81.0       6.5
      83.0      53.0
      84.0       2.9
      97.0      32.3
      98.0     100.0
      99.0       6.7

in DMSO-d6