1HNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 1HNMR)" />

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7338-27-4

衣康酸單甲酯(7338-27-4)核磁圖(1HNMR)

產(chǎn)品名稱:衣康酸單甲酯

CAS:7338-27-4

分子式:C6H8O4

分子量: 144.13

InChI:InChI=1S/C6H8O4/c1-4(6(8)9)3-5(7)10-2/h1,3H2,2H3,(H,8,9)

InChIKey: OIYTYGOUZOARSH-UHFFFAOYSA-N

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

  • 圖譜
    Mass

    MS-NW-1425          
    4-methyl hydrogen methylenesuccinate
    C6H8O4              (Mass of molecular ion:    144)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       2.5
          15.0      68.5
          16.0       1.0
          18.0       3.3
          26.0       3.6
          27.0       9.2
          28.0      10.0
          29.0      28.4
          30.0       2.0
          31.0      17.6
          32.0       5.2
          33.0       1.9
          34.0       1.0
          37.0       6.3
          38.0      13.4
          39.0      88.5
          40.0      51.2
          41.0      59.6
          42.0       8.8
          43.0       9.3
          44.0       3.6
          45.0      27.5
          53.0       3.4
          54.0       3.6
          55.0      19.0
          56.0       5.7
          57.0      25.7
          58.0       8.4
          59.0     100.0
          60.0       3.1
          61.0       1.0
          66.0       1.1
          67.0       8.1
          68.0      94.4
          69.0      47.0
          70.0       3.7
          71.0       2.7
          72.0       6.3
          73.0       1.5
          74.0       1.3
          82.0       3.2
          83.0       1.6
          84.0       6.1
          85.0      78.3
          86.0       4.4
          98.0       1.7
          99.0      11.4
         100.0      11.1
         101.0       1.1
         112.0      16.8
         113.0      60.5
         114.0       3.8
         126.0       7.8
         127.0       2.2
         144.0       9.5
    

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C6 H8 O4 0.050 g : 0.5 ml CDCl3
    4-methyl hydrogen methylenesuccinate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.53 B 6.474 C 5.844 D 3.713 E 3.356 J(B,C)=0.9HZ J(C,E)=-1.0HZ

         Hz     ppm     Int.
    

        943.31  10.533     45
        580.38   6.481    122
        579.44   6.470    132
        525.06   5.863     40
        523.94   5.851    114
        523.00   5.840    117
        521.88   5.828     48
        332.56   3.714   1000
        301.00   3.361    202
        300.13   3.352    215
    

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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