2037-99-2

8-benzyl-10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-triene-7,9-dione(2037-99-2) ¹H NMR

Product Name8-benzyl-10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-triene-7,9-dione

CAS 2037-99-2

Molecular FormulaC15H11NO3

Molecular Weight253.25274

InChIInChI=1S/C15H11NO3/c17-14-12-8-4-5-9-13(12)19-15(18)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2

InChIKey WDEVZFISTMLQTE-UHFFFAOYSA-N

SmilesC12C(C(=O)N(CC3=CC=CC=C3)C(=O)O1)=CC=CC=2

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¹HNMR

¹³CNMR

8-benzyl-10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-triene-7,9-dione(2037-99-2) <sup>1</sup>H NMR
Mass

MS-IW-9508          
3-benzyl-1,3-benzoxazine-2,4(3H)-dione
C15H11NO3           (Mass of molecular ion:    253)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      28.0       1.1
      38.0       1.2
      39.0       4.0
      41.0       1.0
      50.0       1.5
      51.0       3.5
      63.0       5.0
      64.0       5.0
      65.0      11.9
      76.0       1.3
      77.0       4.6
      78.0       1.2
      89.0       2.2
      90.0       1.3
      91.0      90.7
      92.0      18.8
      93.0       2.5
     104.0       2.2
     105.0       1.3
     120.0     100.0
     121.0      22.2
     122.0       1.8
     132.0       3.5
     133.0       1.0
     253.0      59.4
     254.0      10.1
     255.0       1.1

400 MHz in CDCl3

8-benzyl-10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-triene-7,9-dione(2037-99-2) <sup>1</sup>H NMR

¹H NMR	399.65 MHz
C₁₅ H₁₁ N O₃	0.022 g : 0.5 ml CDCl₃
3-benzyl-1,3-benzoxazine-2,4(3H)-dione

    Assign.     Shift(ppm)

      A             8.085
      B             7.678
      C             7.526
      D             7.35
      E             7.32
      F             7.30
      G             7.260
      J             5.202

     Hz     ppm     Int.

   3236.08   8.098    178
   3234.50   8.094    185
   3228.27   8.078    191
   3226.56   8.074    197
   3077.51   7.701    117
   3075.81   7.697    116
   3070.19   7.683    148
   3069.21   7.680    163
   3068.48   7.678    160
   3067.50   7.676    141
   3061.89   7.662    143
   3060.18   7.658    137
   3013.18   7.540    216
   3011.47   7.536    264
   3009.52   7.531     88
   3005.00   7.520    303
   3003.66   7.516    267
   3001.10   7.510     34
   2947.14   7.375    142
   2946.04   7.372    153
   2939.70   7.356    189
   2939.21   7.355    212
   2938.72   7.354    211
   2936.52   7.348    106
   2934.20   7.342    116
   2931.88   7.337    160
   2930.79   7.334    167
   2927.73   7.326    387
   2926.27   7.323    154
   2922.00   7.312    161
   2920.41   7.308    312
   2917.48   7.301    266
   2915.77   7.296    137
   2913.57   7.291     62
   2910.52   7.283    143
   2905.40   7.270    241
   2904.91   7.269    248
   2897.09   7.250    210
   2896.48   7.248    204
   2079.10   5.203   1000

in CDCl3

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8-benzyl-10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-triene-7,9-dione(2037-99-2) 1H NMR

8-benzyl-10-oxa-8-azabicyclo[4.4.0]deca-1,3,5-triene-7,9-dione(2037-99-2) ¹H NMR