N-Hydroxyurethane(589-41-3) MS

Product NameN-Hydroxyurethane

CAS 589-41-3

Molecular FormulaC3H7NO3

Molecular Weight105.09

InChIInChI=1S/C3H7NO3/c1-2-7-3(5)4-6/h6H,2H2,1H3,(H,4,5)

InChIKey VGEWEGHHYWGXGG-UHFFFAOYSA-N

SmilesC(OCC)(=O)NO

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Mass

MS-IW-8614          
ethyl hydroxycarbamate
C3H7NO3             (Mass of molecular ion:    105)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       1.8
      15.0       6.2
      16.0       1.7
      17.0       4.1
      18.0      18.9
      19.0       3.8
      26.0       5.9
      27.0      43.2
      28.0      17.6
      29.0     100.0
      30.0      12.3
      31.0      66.9
      32.0       9.3
      33.0      44.3
      41.0       1.4
      42.0       9.1
      43.0      40.6
      44.0      52.5
      45.0      77.5
      46.0      36.4
      47.0       2.2
      59.0       1.6
      60.0      18.4
      61.0       3.6
      62.0      28.9
      63.0       4.2
      64.0       1.0
      73.0       1.5
      74.0       5.0
      77.0      45.0
      78.0       2.6
      89.0       1.7
      90.0       2.5
      91.0       9.4
     104.0       1.1
     105.0       6.4
     106.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₃ H₇ N O₃	0.05 ml : 0.5 ml CDCl₃
ethyl hydroxycarbamate

    Assign.     Shift(ppm)

      A             4.184
      B             1.261

     Hz     ppm     Int.

   1682.74   4.211    207
   1675.66   4.193    546
   1668.46   4.175    539
   1661.38   4.158    203
    511.23   1.280    602
    504.15   1.262   1000
    496.95   1.244    601

in CDCl3