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Back ChemicalBook Home>CAS DataBase List>5292-43-3More Spectrum> tert-Butyl bromoacetate(5292-43-3) 1H NMR

tert-Butyl bromoacetate(5292-43-3) 1H NMR

Molecular FormulaC6H11BrO2

Molecular Weight195.05

InChIInChI=1S/C6H11BrO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3

InChIKey BNWCETAHAJSBFG-UHFFFAOYSA-N

SmilesC(OC(C)(C)C)(=O)CBr


  • Mass

    MS-IW-2358          
    tert-butyl bromoacetate
    C6H11BrO2           (Mass of molecular ion:    194)
    

       Source Temperature: 200 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          14.0       1.1
          15.0       2.5
          27.0       5.0
          28.0       2.2
          29.0      21.3
          31.0       2.0
          39.0       8.2
          40.0       1.6
          41.0      39.3
          42.0       7.2
          43.0      10.4
          55.0       3.8
          56.0      20.5
          57.0     100.0
          58.0       6.7
          59.0      87.0
          60.0       3.3
          80.0       1.0
          93.0       8.0
          95.0       7.5
         121.0      23.2
         122.0       1.1
         123.0      22.6
         179.0      16.1
         181.0      15.8
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C6 H11 Br O2 0.05 ml : 0.5 ml CDCl3
    tert-butyl bromoacetate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.760 D(B) 1.484

         Hz     ppm     Int.
    

       1128.00   3.760    222
        445.20   1.484   1000
    

in CDCl3



liquid film





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