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884-33-3

2-芐基丁二酸(884-33-3)質譜(MS)

產品名稱:2-芐基丁二酸

CAS:884-33-3

分子式:C11H12O4

分子量: 208.21

InChI:InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)

InChIKey: GTOFKXZQQDSVFH-UHFFFAOYSA-N

Smiles:C(O)(=O)C(CC1=CC=CC=C1)CC(O)=O

  • 圖譜
    Mass 

    MS-IW-3756          
benzylsuccinic acid
C11H12O4            (Mass of molecular ion:    208)


       Source Temperature: 120 °C
   Sample Temperature:  90 °C
   Direct, 75 eV


          18.0       1.3
      27.0       2.1
      39.0       7.0
      41.0       3.1
      43.0       1.1
      45.0       2.7
      50.0       2.0
      51.0       6.4
      52.0       1.6
      55.0       1.8
      57.5       1.9
      58.0       2.0
      60.0       3.0
      62.0       1.0
      63.0       4.0
      64.0       1.0
      65.0      16.0
      66.0       1.1
      77.0       7.3
      78.0       4.9
      79.0       2.8
      89.0       3.7
      90.0       1.6
      91.0     100.0
      92.0       9.5
      99.0       1.0
     102.0       1.8
     103.0      10.6
     104.0       6.6
     105.0       2.9
     107.0       3.0
     115.0       9.9
     116.0       3.9
     117.0      36.5
     118.0       5.7
     120.0       3.4
     121.0       1.0
     130.0       1.0
     131.0      49.4
     132.0       5.1
     144.0       2.9
     145.0      21.5
     146.0       2.8
     147.0      20.8
     148.0      36.3
     149.0      34.0
     150.0       5.1
     162.0      64.1
     163.0       7.2
     173.0       1.6
     177.0       1.0
     190.0      12.7
     191.0       2.3
     208.0      29.6
     209.0       3.7

KBr disc

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nujol mull

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