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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>542-59-6更多圖譜> 1,2-乙二醇單乙酸酯(542-59-6)質(zhì)譜(MS)

542-59-6

1,2-乙二醇單乙酸酯(542-59-6)質(zhì)譜(MS)

產(chǎn)品名稱:1,2-乙二醇單乙酸酯

CAS:542-59-6

分子式:C4H8O3

分子量: 104.1

InChI:InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3

InChIKey: HXDLWJWIAHWIKI-UHFFFAOYSA-N

Smiles:C(OC(=O)C)CO

  • 圖譜
    Mass 

    MS-IW-3854          
2-hydroxyethyl acetate
C4H8O3              (Mass of molecular ion:    104)


       Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          14.0       1.3
      15.0       7.9
      18.0       1.8
      19.0       1.2
      27.0       4.2
      28.0       3.1
      29.0       6.9
      30.0       1.1
      31.0      29.8
      32.0       2.6
      33.0       8.0
      42.0       6.1
      43.0     100.0
      44.0      11.0
      45.0       8.3
      58.0       1.3
      59.0       1.3
      61.0       9.3
      62.0       1.3
      71.0       1.6
      73.0      18.2
      74.0      22.7
      75.0       1.0
      86.0       6.4
      87.0       2.6
     101.0       4.4
     102.0       2.8
     103.0       1.8
     114.0       3.2
     116.0       1.9
     144.0       1.0

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C4 H8 O3 0.05 ml : O.5 ml CDCl3
    2-hydroxyethyl acetate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.3
      B             4.180
      C             3.798
      D             2.102
  

         Hz     ppm     Int.


       1675.66   4.193    225
   1672.00   4.184    166
   1670.90   4.181    213
   1669.31   4.177    156
   1665.89   4.169    240
   1522.58   3.810    237
   1519.17   3.802    136
   1517.58   3.798    227
   1516.36   3.795    138
   1512.82   3.786    211
    840.21   2.103   1000

in CDCl3

  • 圖譜

liquid film

  • 圖譜

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