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Back ChemicalBook Home>CAS DataBase List>813-74-1More Spectrum> 2,2,3-TRICHLOROPROPIONITRILE(813-74-1) 1H NMR

2,2,3-TRICHLOROPROPIONITRILE(813-74-1) 1H NMR

Molecular FormulaC3H2Cl3N

Molecular Weight158.41

InChIInChI=1S/C3H2Cl3N/c4-1-3(5,6)2-7/h1H2

InChIKey XMVOGXZDRUZXAP-UHFFFAOYSA-N

SmilesC(#N)C(Cl)(Cl)CCl


  • Mass

    MS-IW-3583          
    2,2,3-trichloropropionitrile
    C3H2Cl3N            (Mass of molecular ion:    157)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          24.0       1.0
          25.0       3.1
          26.0       8.5
          27.0       1.5
          28.0       8.1
          35.0       4.7
          36.0       4.1
          37.0       2.4
          38.0       2.8
          44.0       2.4
          47.0       4.9
          48.0       1.5
          49.0     100.0
          50.0       4.4
          51.0      66.3
          52.0      20.8
          53.0       2.2
          54.0       8.1
          60.0       6.0
          61.0       7.9
          62.0       9.5
          63.0       2.5
          64.0       2.3
          73.0       1.6
          85.0       2.3
          86.0      33.6
          87.0      11.7
          88.0      11.6
          89.0       5.7
          95.0       7.1
          96.0      21.4
          97.0       5.0
          98.0      13.5
          99.0       1.0
         100.0       2.1
         108.0      11.1
         110.0       6.9
         112.0       1.1
         120.0       1.2
         121.0       1.8
         122.0      97.7
         123.0       4.7
         124.0      62.2
         125.0       2.5
         126.0      10.2
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C3 H2 Cl3 N 0.05 ml : 0.5 ml CDCl3
    2,2,3-trichloropropionitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.181

         Hz     ppm     Int.
    

       1254.30   4.181   1000
    

in CDCl3



liquid film



2,2,3-TRICHLOROPROPIONITRILE(813-74-1) 1H NMR Atlas of Related Products

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