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Back ChemicalBook Home>CAS DataBase List>6296-42-0More Spectrum> 2-CHLOROETHYLUREA(6296-42-0) 1H NMR

2-CHLOROETHYLUREA(6296-42-0) 1H NMR

Product Name2-CHLOROETHYLUREA

CAS6296-42-0

Molecular FormulaC3H7ClN2O

Molecular Weight122.55

InChIInChI=1S/C3H7ClN2O/c4-1-2-6-3(5)7/h1-2H2,(H3,5,6,7)

InChIKey BITBMHVXCILUEX-UHFFFAOYSA-N

SmilesN(CCCl)C(N)=O


  • Mass

    MS-NW-4964          
    (2-chloroethyl)urea
    C3H7ClN2O           (Mass of molecular ion:    122)
    

       Source Temperature: 180 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       5.4
          16.0       1.7
          17.0       4.0
          18.0       6.3
          26.0       1.2
          27.0       8.6
          28.0      11.2
          29.0       3.8
          30.0     100.0
          31.0       1.7
          35.0       1.3
          36.0      12.1
          38.0       3.7
          40.0       1.2
          41.0       2.4
          42.0       8.9
          43.0       7.9
          44.0      16.1
          49.0       1.9
          55.0       2.7
          56.0       7.4
          57.0       1.1
          60.0       3.1
          63.0       2.6
          73.0      51.0
          74.0       1.6
          78.0       2.5
          85.0       7.2
          86.0       8.2
          87.0       1.8
         122.0       8.7
         124.0       3.1
    

90 MHz in D2O


  • 1H NMR 89.56 MHz
    C3 H7 Cl N2 O 0.040 g : 0.5 ml D2O
    (2-chloroethyl)urea
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.807 C 3.916

         Hz     ppm     Int.
    

        441.44   4.929    390
        440.56   4.920    371
        432.94   4.835    839
        431.19   4.815    379
        430.50   4.807    254
        424.31   4.738    754
        423.63   4.731    761
        419.63   4.686   1000
        358.44   4.003    582
        357.69   3.994    535
        351.50   3.925    260
        350.81   3.918    372
        349.19   3.899    810
        341.50   3.814    382
        340.56   3.803    345
    

KBr disc



nujol mull



4880 A,200 M,powder



2-CHLOROETHYLUREA(6296-42-0) 1H NMR Atlas of Related Products

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