N-(4-Nitrobenzoyl)-beta-alanine(59642-21-6) ¹³C NMR

Product NameN-(4-Nitrobenzoyl)-beta-alanine

CAS 59642-21-6

Molecular FormulaC10H10N2O5

Molecular Weight238.2

Request For Quotation

Mass

MS-NW-7925          
N-(4-nitrobenzoyl)-beta-alanine
C10H10N2O5          (Mass of molecular ion:    238)

   Source Temperature: 190 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       3.6
      27.0       2.8
      28.0       3.3
      29.0       1.6
      30.0       2.4
      38.0       1.1
      39.0       1.8
      42.0       1.5
      43.0       2.3
      44.0       2.0
      45.0       2.6
      50.0      10.8
      51.0       3.7
      55.0       3.2
      56.0       1.5
      63.0       1.9
      64.0       3.0
      65.0       3.1
      70.0       9.4
      71.0       1.8
      73.0       1.2
      74.0       3.9
      75.0      10.7
      76.0      22.6
      77.0       3.7
      88.0      45.2
      89.0       2.1
      92.0      11.2
      93.0       1.1
      98.0       1.6
     103.0       6.3
     104.0      33.1
     105.0       3.1
     120.0      12.6
     121.0       2.2
     122.0       1.2
     134.0       3.3
     145.0       1.0
     149.0       1.7
     150.0     100.0
     151.0      13.4
     152.0       1.6
     164.0       1.2
     166.0       1.1
     167.0       2.2
     175.0       1.6
     178.0       4.2
     179.0       3.2
     191.0       3.2
     192.0      17.4
     193.0       4.8
     220.0       1.2
     221.0       4.8
     238.0      14.8
     239.0       1.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₀ N₂ O₅	0.042 g : 0.5 ml DMSO-d₆
N-(4-nitrobenzoyl)-beta-alanine

    Assign.     Shift(ppm)

      A            12.4
      B             8.91
      C             8.325
      D             8.082
      E             3.520
      F             2.574
     
     J(E,B)=5.2HZ

     Hz     ppm     Int.

   4967.66  12.431     30
   3564.24   8.919     97
   3558.93   8.906    192
   3553.61   8.892    100
   3334.55   8.344    100
   3332.17   8.338    846
   3330.15   8.333    265
   3325.20   8.321    301
   3323.19   8.316   1000
   3320.81   8.310    143
   3236.55   8.099    124
   3234.17   8.093    952
   3231.97   8.088    279
   3227.21   8.076    257
   3225.20   8.071    786
   3222.81   8.065    109
   1416.43   3.545    156
   1409.28   3.527    371
   1403.79   3.513    380
   1396.83   3.496    168
   1035.62   2.592    356
   1028.66   2.574    772
   1021.52   2.557    340

in DMSO-d6