4114-31-2

Ethyl carbazate(4114-31-2) MS

Product NameEthyl carbazate

CAS 4114-31-2

Molecular FormulaC3H8N2O2

Molecular Weight104.11

InChIInChI=1S/C3H8N2O2/c1-2-7-3(6)5-4/h2,4H2,1H3,(H,5,6)

InChIKey VYSYZMNJHYOXGN-UHFFFAOYSA-N

SmilesN(C(OCC)=O)N

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Ethyl carbazate(4114-31-2) MS
Mass

MS-NW-6555          
ethyl carbazate
C3H8N2O2            (Mass of molecular ion:    104)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       1.1
      15.0       3.9
      16.0       1.2
      17.0       2.8
      18.0       4.5
      19.0       1.5
      26.0       4.3
      27.0      43.9
      28.0      23.1
      29.0      82.4
      30.0       8.7
      31.0      69.6
      32.0     100.0
      42.0       1.7
      43.0       6.1
      44.0       7.0
      45.0      68.7
      46.0       3.7
      58.0       2.0
      59.0      19.2
      64.0       1.4
      76.0       4.4
     104.0      21.5
     105.0       1.4

90 MHz in CDCl3

Ethyl carbazate(4114-31-2) MS

¹H NMR	89.56 MHz
C₃ H₈ N₂ O₂	0.041 g : 0.5 ml CDCl₃
ethyl carbazate

    Assign.     Shift(ppm)

      A             6.4
      B             4.166
      C             3.80
      D             1.263

     Hz     ppm     Int.

    384.25   4.291    123
    377.00   4.210    459
    369.88   4.130    486
    362.88   4.052    150
    340.56   3.803     70
    120.00   1.340    479
    112.94   1.262   1000
    105.81   1.182    421

in CDCl3