1,1,3,3-Tetraethylurea(1187-03-7) MS

Product Name1,1,3,3-Tetraethylurea

CAS 1187-03-7

Molecular FormulaC9H20N2O

Molecular Weight172.27

InChIInChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3

InChIKey UWHSPZZUAYSGTB-UHFFFAOYSA-N

SmilesN(CC)(CC)C(N(CC)CC)=O

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Mass

MS-NW-2223          
1,1,3,3-tetraethylurea
C9H20N2O            (Mass of molecular ion:    172)

   Source Temperature: 270 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       2.3
      18.0       2.0
      27.0       8.7
      28.0       5.8
      29.0      36.0
      30.0       4.1
      41.0       1.2
      42.0       8.7
      43.0       1.5
      44.0      20.7
      56.0       8.3
      57.0       1.2
      58.0      31.1
      59.0       1.1
      70.0       2.7
      71.0       2.8
      72.0     100.0
      73.0       8.9
      74.0       2.9
      84.0       1.5
     100.0      90.2
     101.0       5.9
     143.0       2.1
     144.0       1.1
     157.0       1.6
     172.0      19.5
     173.0       2.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₂₀ N₂ O	0.04 ml : 0.5 ml CDCl₃
1,1,3,3-tetraethylurea

    Assign.     Shift(ppm)

      A             3.165
      B             1.110

     Hz     ppm     Int.

    294.44   3.288    117
    287.31   3.209    425
    280.25   3.130    457
    273.25   3.052    144
    108.25   1.209     22
    106.19   1.186    476
    103.31   1.154     28
    101.44   1.133     43
     99.19   1.108   1000
     94.44   1.055     27
     92.06   1.028    402

in CDCl3