6296-42-0

2-CHLOROETHYLUREA(6296-42-0) Raman

Product Name2-CHLOROETHYLUREA

CAS 6296-42-0

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

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2-CHLOROETHYLUREA(6296-42-0) Raman
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

2-CHLOROETHYLUREA(6296-42-0) Raman

¹H NMR	89.56 MHz
C₃ H₇ Cl N₂ O	0.040 g : 0.5 ml D₂O
(2-chloroethyl)urea

    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