13CNMR)的核磁圖,紅外圖譜,Raman光譜,質譜等圖譜" /> 13CNMR)" />

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返回ChemicalBook首頁>CAS數據庫列表>42075-32-1更多圖譜> (2R,4R)-(-)-戊二醇(42075-32-1)核磁圖(13CNMR)

42075-32-1

(2R,4R)-(-)-戊二醇(42075-32-1)核磁圖(13CNMR)

分子式:C5H12O2

分子量: 104.15

InChI:InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m1/s1

InChIKey: GTCCGKPBSJZVRZ-RFZPGFLSSA-N

Smiles:C[C@@H](O)C[C@H](O)C

  • 圖譜
    Mass 

    MS-NW-6521          
(2R,4R)-(-)-2,4-pentanediol
C5H12O2             (Mass of molecular ion:    104)


       Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV


          15.0       3.4
      18.0       4.7
      19.0       4.1
      27.0       6.9
      28.0       1.2
      29.0       4.4
      31.0       3.2
      39.0       5.0
      40.0       2.6
      41.0      13.1
      42.0      46.2
      43.0      22.1
      44.0       4.1
      45.0     100.0
      46.0       2.5
      47.0       1.1
      53.0       1.1
      58.0       1.8
      59.0       1.5
      63.0       4.0
      67.0       1.3
      71.0      16.1
      86.0       1.8
      89.0       3.7

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C5 H12 O2 0.040 g : 0.5 ml CDCl3
    (2r,4r)-(-)-2,4-pentanediol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.131
      B             3.52
      C             1.577
      D             1.224
     
     J(A,D)=6.3HZ.
  

         Hz     ppm     Int.


        378.94   4.232     49
    373.69   4.173     67
    372.69   4.162     80
    367.44   4.103     86
    366.56   4.093     67
    361.25   4.034     55
    314.88   3.516    680
    146.88   1.641    174
    141.63   1.582    157
    140.75   1.572    166
    135.50   1.513    156
    112.69   1.259   1000
    108.50   1.212     29
    106.44   1.189    952

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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