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3068-88-0

B-丁內(nèi)酯(3068-88-0)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):B-丁內(nèi)酯

CAS:3068-88-0

分子式:C4H6O2

分子量: 86.09

InChI:InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3

InChIKey: GSCLMSFRWBPUSK-UHFFFAOYSA-N

Smiles:O1C(C)CC1=O

  • 圖譜
    Mass 

    MS-IW-5642          
beta-butyrolactone
C4H6O2              (Mass of molecular ion:     86)


       Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          13.0       1.1
      14.0       7.1
      15.0      11.5
      18.0       3.0
      25.0       1.3
      26.0       6.0
      27.0      14.9
      28.0       5.5
      29.0      13.9
      36.0       1.9
      37.0       5.7
      38.0       8.6
      39.0      33.0
      40.0      13.7
      41.0      38.1
      42.0     100.0
      43.0      80.5
      44.0      30.6
      45.0       2.6
      60.0       1.9
      68.0      10.5
      69.0       1.3
      71.0       4.3
      86.0       1.0
      87.0       1.0

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C4 H6 O2 0.05 ml : 0.5 ml CDCl3
    beta-butyrolactone
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.704
      B     *1      3.560
      C     *1      3.083
      D             1.563
     
     J(A,B)=5.6HZ
     J(A,C)=4.3HZ
     J(A,D)=6.1HZ
     J(B,C)=-16.3HZ
  

         Hz     ppm     Int.


        429.69   4.798     58
    425.38   4.750     72
    423.94   4.734     88
    419.63   4.686     95
    417.88   4.666     75
    413.56   4.618     75
    332.31   3.711    138
    326.63   3.648    117
    316.00   3.529    258
    310.38   3.466    235
    283.81   3.169    224
    279.50   3.121    214
    267.50   2.987    115
    263.19   2.939    109
    143.00   1.597   1000
    140.56   1.570     62
    136.88   1.529    945
    134.56   1.503     39

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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