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Back ChemicalBook Home>CAS DataBase List>1116-98-9More Spectrum> tert-Butyl cyanoacetate(1116-98-9) 1H NMR

tert-Butyl cyanoacetate(1116-98-9) 1H NMR

Molecular FormulaC7H11NO2

Molecular Weight141.17

InChIInChI=1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3

InChIKey BFNYNEMRWHFIMR-UHFFFAOYSA-N

SmilesC(OC(C)(C)C)(=O)CC#N


  • Mass

    MS-IW-8354          
    tert-butyl cyanoacetate
    C7H11NO2            (Mass of molecular ion:    141)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.6
          26.0       1.2
          27.0       5.9
          28.0       6.8
          29.0      13.0
          31.0       3.9
          38.0       3.3
          39.0      18.4
          40.0      17.1
          41.0      69.9
          42.0       3.6
          43.0       6.0
          44.0      21.2
          45.0       3.1
          50.0       1.7
          51.0       1.5
          53.0       2.3
          55.0       9.8
          56.0      33.0
          57.0      47.3
          58.0       2.9
          59.0     100.0
          60.0       4.1
          67.0       1.5
          68.0      14.8
         126.0       5.4
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C7 H11 N O2 0.05 ml : 0.5 ml CDCl3
    tert-butyl cyanoacetate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.406 D(B) 1.500

         Hz     ppm     Int.
    

       1021.80   3.406    222
        450.00   1.500   1000
    

in CDCl3



liquid film



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