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Back ChemicalBook Home>CAS DataBase List>111-61-5More Spectrum> ETHYL STEARATE(111-61-5) IR1

111-61-5

ETHYL STEARATE(111-61-5) IR1

Product NameETHYL STEARATE

CAS111-61-5

Molecular FormulaC20H40O2

Molecular Weight312.53

InChIInChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3

InChIKey MVLVMROFTAUDAG-UHFFFAOYSA-N

SmilesC(OCC)(=O)CCCCCCCCCCCCCCCCC

  • ETHYL STEARATE(111-61-5) IR1
    Mass

    MS-NW-3781          
    ethyl stearate
    C20H40O2            (Mass of molecular ion:    312)
    

       Source Temperature: 190 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          27.0       3.4
          28.0       1.3
          29.0      12.6
          39.0       1.7
          41.0      14.8
          42.0       3.4
          43.0      22.6
          45.0       3.0
          54.0       1.2
          55.0      13.6
          56.0       3.3
          57.0      14.2
          60.0       5.1
          61.0       6.7
          67.0       2.0
          68.0       1.0
          69.0       8.4
          70.0       6.9
          71.0       6.0
          73.0       8.0
          74.0       1.0
          81.0       1.8
          83.0       5.6
          84.0       2.6
          85.0       3.2
          87.0       1.3
          88.0     100.0
          89.0      22.2
          90.0       1.2
          95.0       1.6
          97.0       4.3
          98.0       2.6
         101.0      45.5
         102.0       4.0
         111.0       2.1
         115.0       4.6
         125.0       1.1
         129.0       1.9
         130.0       1.1
         143.0       4.9
         144.0       1.5
         157.0      13.2
         158.0       1.6
         171.0       1.3
         185.0       1.2
         199.0       2.1
         213.0       3.2
         227.0       1.4
         239.0       1.4
         241.0       1.9
         255.0       1.2
         267.0       4.7
         269.0       4.5
         270.0       1.0
         283.0       1.1
         284.0       6.5
         285.0       1.3
         298.0       1.2
         312.0      24.2
         313.0       5.7
    

90 MHz in CDCl3

  • ETHYL STEARATE(111-61-5) IR1

    1H NMR 89.56 MHz
    C20 H40 O2 0.04 ml : 0.5 ml CDCl3
    ethyl stearate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.119 B 2.28 C 1.62 D 1.251 E 1.43 to 1.09 F 0.89

         Hz     ppm     Int.
    

        372.75   4.163     65
        365.63   4.083     69
        358.50   4.003     22
        204.81   2.287     29
        197.13   2.202     26
        119.00   1.329    114
        112.69   1.259   1000
        104.75   1.170     85
         78.81   0.880     53
    

in CDCl3

  • ETHYL STEARATE(111-61-5) IR1

CCl4 solution

  • ETHYL STEARATE(111-61-5) IR1

KBr disc

  • ETHYL STEARATE(111-61-5) IR1

liquid film

  • ETHYL STEARATE(111-61-5) IR1

nujol mull

  • ETHYL STEARATE(111-61-5) IR1

  • ETHYL STEARATE(111-61-5) IR1

ETHYL STEARATE(111-61-5) IR1 Atlas of Related Products

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