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Back ChemicalBook Home>CAS DataBase List>5660-81-1More Spectrum> Cyclopentanemalonic acid(5660-81-1) IR1

Cyclopentanemalonic acid(5660-81-1) IR1

Molecular FormulaC8H12O4

Molecular Weight172.18

InChIInChI=1S/C8H12O4/c9-7(10)6(8(11)12)5-3-1-2-4-5/h5-6H,1-4H2,(H,9,10)(H,11,12)

InChIKey DRHLPIHNSBNMFF-UHFFFAOYSA-N

SmilesC(O)(=O)C(C1CCCC1)C(O)=O


  • Mass

    MS-NW-1609          
    cyclopentylmalonic acid
    C8H12O4             (Mass of molecular ion:    172)
    

       Source Temperature: 200 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          15.0       1.3
          16.0       1.1
          17.0       1.1
          18.0       5.5
          26.0       2.0
          27.0      18.0
          28.0       4.5
          29.0       9.3
          31.0       1.5
          38.0       1.9
          39.0      25.5
          40.0       6.6
          41.0      41.9
          42.0       9.4
          43.0      10.5
          44.0      26.8
          45.0       6.8
          50.0       1.8
          51.0       3.2
          52.0       1.9
          53.0      14.3
          54.0      11.2
          55.0      10.9
          56.0       3.2
          57.0       3.3
          58.0       1.6
          60.0      24.3
          61.0      15.1
          65.0       2.0
          66.0       8.8
          67.0      38.9
          68.0      58.7
          69.0      16.8
          70.0       1.9
          71.0       1.5
          73.0       4.1
          77.0       2.0
          79.0       3.8
          80.0       2.3
          81.0      20.4
          82.0       5.4
          83.0       1.7
          85.0       7.9
          86.0      14.1
          87.0      19.6
          97.0       3.5
          98.0       2.5
          99.0      10.4
         100.0       1.8
         104.0      22.0
         105.0     100.0
         106.0       3.6
         107.0       1.4
         108.0       1.9
         109.0       2.5
         110.0       8.8
         111.0       5.3
         113.0       1.0
         125.0       1.6
         126.0      15.2
         127.0       5.5
         128.0       4.5
         129.0      14.0
    

KBr disc



nujol mull



4880 A,200 M,powder



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