Methylurea(598-50-5) Raman

Product NameMethylurea

CAS 598-50-5

Molecular FormulaC2H6N2O

Molecular Weight74.08

InChIInChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)

InChIKey XGEGHDBEHXKFPX-UHFFFAOYSA-N

SmilesN(C)C(N)=O

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Mass

MS-NW-1722          
N-methylurea
C2H6N2O             (Mass of molecular ion:     74)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0      14.3
      16.0       6.0
      17.0       7.2
      18.0       7.0
      26.0       2.2
      27.0       9.1
      28.0      47.7
      29.0      13.0
      30.0     100.0
      31.0      55.0
      32.0       2.0
      42.0      13.5
      43.0      60.2
      44.0      22.1
      45.0       1.8
      56.0       3.8
      57.0       7.6
      58.0       8.4
      74.0      40.6
      75.0       1.3

parameter in D2O

¹H NMR	300 MHz
C₂ H₆ N₂ O	0.041 g : 0.5 ml D₂O
N-methylurea

    Parameter     ppm  Hz

      D(A)         2.683

     Hz     ppm     Int.

    804.90   2.683   1000

in D2O

KBr disc

nujol mull

4880 A,200 M,powder

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