1,3-Diethylurea(623-76-7) Raman

Product Name1,3-Diethylurea

CAS 623-76-7

Molecular FormulaC5H12N2O

Molecular Weight116.16

InChIInChI=1S/C5H12N2O/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)

InChIKey ZWAVGZYKJNOTPX-UHFFFAOYSA-N

SmilesN(CC)C(NCC)=O

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1,3-Diethylurea(623-76-7) Raman
Mass

MS-NW-0205          
1,3-diethylurea
C5H12N2O            (Mass of molecular ion:    116)

   Source Temperature: 160 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      15.0       3.0
      18.0       4.9
      27.0      10.4
      28.0       8.6
      29.0      18.7
      30.0     100.0
      31.0       1.3
      40.0       1.1
      41.0       1.8
      42.0       6.4
      43.0       4.0
      44.0      51.8
      45.0       4.0
      46.0       2.3
      56.0       1.3
      58.0       1.0
      60.0       2.2
      72.0       6.4
      73.0       4.0
      88.0       1.6
     101.0       3.6
     116.0      45.8
     117.0       6.8

parameter in D2O

1,3-Diethylurea(623-76-7) Raman

¹H NMR	300 MHz
C₅ H₁₂ N₂ O	0.043 g : 0.5 ml D₂O
1,3-diethylurea

    Parameter     ppm  Hz

      D(A)         3.105
      D(B)         1.085
       J(A,B)          7.3

     Hz     ppm     Int.

    942.52   3.142    160
    935.22   3.117    489
    927.92   3.093    503
    920.64   3.069    173
    332.77   1.109    510
    325.46   1.085   1000
    318.16   1.061    486

in DMSO-d6

in D2O