BENZYLOXYUREA(2048-50-2) IR1

Product NameBENZYLOXYUREA

CAS 2048-50-2

Molecular FormulaC8H10N2O2

Molecular Weight166.18

InChIInChI=1S/C8H10N2O2/c9-8(11)10-12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)

InChIKey IXRIVZOKBPYSPK-UHFFFAOYSA-N

SmilesN(OCC1=CC=CC=C1)C(N)=O

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Mass

MS-NW-7124          
(benzyloxy)urea
C8H10N2O2           (Mass of molecular ion:    166)

   Source Temperature: 170 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      17.0       1.3
      18.0       3.4
      27.0       1.1
      29.0       1.2
      39.0       3.5
      43.0       2.4
      44.0       3.9
      50.0       2.3
      51.0       6.1
      52.0       1.5
      60.0       1.2
      63.0       1.5
      65.0       8.3
      77.0       9.4
      78.0       1.8
      79.0       5.1
      89.0       1.4
      90.0       1.1
      91.0     100.0
      92.0       8.0
     105.0       3.5
     106.0       2.8
     107.0       3.4
     108.0       4.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₁₀ N₂ O₂	0.056 g : 0.5 ml DMSO-d₆
(benzyloxy)urea

    Assign.     Shift(ppm)

      A             9.07
      B             7.416
      C             7.37
      D             7.32
      E             6.38
      F             4.729

     Hz     ppm     Int.

   3623.41   9.067    358
   2970.34   7.433    169
   2968.63   7.429    226
   2962.28   7.413    385
   2960.82   7.409    400
   2954.96   7.394     33
   2952.64   7.389    149
   2950.44   7.383    185
   2948.85   7.379    107
   2946.29   7.373     97
   2944.09   7.367    459
   2938.23   7.353    140
   2936.40   7.348    283
   2933.84   7.342    245
   2932.01   7.337    147
   2929.93   7.332     79
   2926.88   7.324    164
   2923.10   7.315     38
   2921.51   7.311     34
   2919.92   7.307     46
   2918.33   7.303     30
   2550.66   6.383    293
   1890.14   4.730   1000

DMSO-d6

KBr disc

nujol mull

4880 A,200 M,powder

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