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Back ChemicalBook Home>CAS DataBase List>57-11-4More Spectrum> Stearic acid(57-11-4) MS

Stearic acid(57-11-4) MS

Product NameStearic acid

CAS57-11-4

Molecular FormulaC18H36O2

Molecular Weight284.48

InChIInChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)

InChIKey QIQXTHQIDYTFRH-UHFFFAOYSA-N

SmilesC(O)(=O)CCCCCCCCCCCCCCCCC


  • Mass

    MS-NW-6829          
    stearic acid
    C18H36O2            (Mass of molecular ion:    284)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       2.8
          18.0       9.9
          27.0      16.7
          28.0       5.5
          29.0      39.1
          30.0       1.4
          31.0       1.4
          39.0      12.6
          40.0       2.9
          41.0      81.0
          42.0      17.4
          43.0     100.0
          44.0       3.2
          45.0       6.4
          51.0       1.1
          53.0       5.0
          54.0       7.3
          55.0      73.8
          56.0      19.5
          57.0      75.3
          58.0       3.5
          59.0       3.9
          60.0      67.6
          61.0      20.8
          62.0       1.1
          65.0       1.3
          66.0       1.0
          67.0      10.5
          68.0       8.6
          69.0      42.8
          70.0      14.1
          71.0      38.1
          72.0       2.1
          73.0      71.5
          74.0       7.5
          75.0       1.1
          77.0       1.6
          79.0       3.1
          80.0       2.2
          81.0       8.6
          82.0       7.8
          83.0      28.1
          84.0      13.3
          85.0      23.7
          86.0       2.0
          87.0      15.2
          88.0       1.5
          91.0       1.6
          93.0       2.1
          94.0       1.4
          95.0       5.1
          96.0       6.4
          97.0      21.9
          98.0      30.8
          99.0       9.7
         100.0       1.4
         101.0       7.1
         102.0       3.0
         107.0       1.6
         108.0       1.1
         109.0       2.4
         110.0       3.5
         111.0      12.1
         112.0       8.5
         113.0       5.7
         115.0      11.3
         116.0       7.1
         121.0       2.6
         123.0       1.4
         124.0       2.2
         125.0       6.2
         126.0       2.5
         127.0       3.8
         129.0      37.0
         130.0       4.8
         135.0       1.4
         138.0       1.4
         139.0       3.1
         140.0       1.6
         141.0       3.6
         143.0       6.6
         144.0       1.3
         149.0       1.0
         152.0       1.1
         153.0       1.9
         154.0       1.6
         155.0       2.6
         157.0       3.1
         158.0       1.1
         167.0       1.2
         168.0       1.0
         169.0       1.7
         171.0       6.9
         172.0       2.4
         180.0       1.0
         183.0       1.2
         185.0      17.0
         186.0       2.9
         196.0       1.3
         199.0       5.1
         200.0       1.0
         213.0       2.1
         222.0       2.0
         224.0       2.8
         225.0       2.1
         227.0       3.6
         241.0      13.6
         242.0       2.8
         248.0       1.0
         255.0       2.7
         256.0       2.0
         284.0      77.3
         285.0      15.7
         286.0       1.9
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C18 H36 O2 0.042 g : 0.5 ml CDCl3
    stearic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 2.35 C 1.64 D 1.26 E 0.88

         Hz     ppm     Int.
    

        210.38   2.350     30
        202.94   2.266     22
        112.79   1.260   1000
         83.57   0.934     25
         78.78   0.880     55
    

in CDCl3



CCl4 solution



KBr disc



nujol mull





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