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884-33-3

2-苄基丁二酸(884-33-3)质谱(MS)

产品名称:2-苄基丁二酸

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

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    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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