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623-91-6

富馬酸二乙酯(623-91-6)質(zhì)譜(MS)

產(chǎn)品名稱:富馬酸二乙酯

CAS:623-91-6

分子式:C8H12O4

分子量: 172.18

InChI:InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+

InChIKey: IEPRKVQEAMIZSS-AATRIKPKSA-N

Smiles:C(OCC)(=O)/C=C/C(OCC)=O

  • 圖譜
    Mass 

    MS-IW-8024          
diethyl fumarate
C8H12O4             (Mass of molecular ion:    172)


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


          15.0       1.2
      18.0       2.0
      26.0       9.2
      27.0      14.2
      28.0       8.0
      29.0      21.6
      31.0       2.3
      43.0       3.9
      44.0       1.5
      45.0      10.1
      53.0       6.9
      54.0       9.8
      55.0      17.7
      56.0       1.1
      71.0       8.5
      72.0       2.5
      81.0       7.0
      82.0      11.1
      98.0       3.7
      99.0      62.9
     100.0      11.8
     117.0       5.7
     125.0       3.0
     126.0      30.3
     127.0     100.0
     128.0      10.2
     129.0       1.1
     143.0       4.1
     145.0       3.5

parameter in CDCl3

  • 圖譜

    1H NMR 300 MHz
    C8 H12 O4 10.4 mol% in CDCl3
    diethyl fumarate
    ChemicalStructure 
        Parameter     ppm  Hz
    
      D(A)         1.324
      D(B)         4.262
       J(A,B)          7.12
     
      D(C)         6.842
  

         Hz     ppm     Int.


       2052.58   6.842    665
   1289.30   4.298    161
   1282.23   4.274    494
   1275.10   4.250    502
   1268.03   4.227    169
    404.32   1.348    501
    397.19   1.324   1000
    390.12   1.300    489

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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