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Back ChemicalBook Home>CAS DataBase List>1609-86-5More Spectrum> tert-Butylisocyanate(1609-86-5) 13C NMR

tert-Butylisocyanate(1609-86-5) 13C NMR

Molecular FormulaC5H9NO

Molecular Weight99.13

InChIInChI=1S/C5H9NO/c1-5(2,3)6-4-7/h1-3H3

InChIKey MGOLNIXAPIAKFM-UHFFFAOYSA-N

SmilesCC(N=C=O)(C)C


  • Mass

    MS-NW-2970          
    tert-butyl isocyanate
    C5H9NO              (Mass of molecular ion:     99)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       8.0
          26.0       1.5
          27.0       5.8
          28.0       7.0
          29.0      10.1
          39.0       6.0
          40.0       2.9
          41.0      17.1
          42.0       2.9
          43.0       1.1
          54.0       1.1
          55.0       2.1
          56.0      26.4
          57.0       7.5
          84.0     100.0
          85.0       5.0
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C5 H9 N O 0.04 ml : 0.5 ml CDCl3
    tert-butyl isocyanate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.363

         Hz     ppm     Int.
    

        408.90   1.363   1000
    

in CDCl3



liquid film



TUNGSTEN(II) COMPLEX, IN CH2CL2



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