4289-95-6

N-甲酰基-DL-苯丙氨酸(4289-95-6)红外图谱(IR1)

产品名称:N-甲酰基-DL-苯丙氨酸

CAS:4289-95-6

分子式:C10H11NO3

分子量: 193.2

InChI:InChI=1S/C10H11NO3/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)/t9-/m0/s1

InChIKey: NSTPXGARCQOSAU-VIFPVBQESA-N

Smiles:C(O)(=O)[C@H](CC1=CC=CC=C1)NC=O

Mass

MS-NW-2496          
N-formyl-DL-phenylalanine
C10H11NO3           (Mass of molecular ion:    193)

   Source Temperature: 180 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      17.0       1.2
      18.0       6.3
      27.0       1.1
      28.0       8.3
      29.0       1.7
      39.0       4.3
      41.0       1.3
      42.0       1.0
      46.0       1.4
      50.0       1.4
      51.0       3.8
      52.0       1.0
      63.0       2.3
      65.0       9.4
      74.0       1.6
      77.0       4.2
      78.0       1.6
      89.0       1.8
      90.0       1.4
      91.0     100.0
      92.0      10.0
     102.0       1.6
     103.0       4.0
     104.0       1.8
     117.0       1.6
     118.0       2.8
     119.0       1.8
     120.0       4.4
     130.0       1.3
     131.0       1.5
     147.0      14.4
     148.0      40.7
     149.0       4.1
     175.0       4.9
     193.0       1.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₁ N O₃	0.039 g : 0.5 ml DMSO-d₆
N-formyl-DL-phenylalanine

    Assign.     Shift(ppm)

      A            12.9
      B             8.39
      C             7.981
      D             7.28
      E             7.23
      F             7.22
      G             4.538
      J     *1      3.093
      K     *1      2.883
     
     J(B,G)=8.1HZ
     J(G,J)=4.9HZ
     J(G,K)=9.2HZ
     J(J,K)=-13.9HZ

     Hz     ppm     Int.

   5148.07  12.882     41
   3358.05   8.403    189
   3349.93   8.383    191
   3190.30   7.983    564
   3189.66   7.982    570
   2923.84   7.317     41
   2921.06   7.310    160
   2919.99   7.307    243
   2918.50   7.303    129
   2917.43   7.300    124
   2916.57   7.298    119
   2912.73   7.289    555
   2911.66   7.286    471
   2908.03   7.277    218
   2905.68   7.271    668
   2900.98   7.259     88
   2899.27   7.255    111
   2892.21   7.237   1000
   2885.16   7.220    609
   2883.67   7.216    507
   2880.25   7.207    108
   2877.47   7.200     91
   2875.97   7.197    131
   2874.48   7.193     74
   1825.72   4.569     90
   1820.59   4.556    111
   1816.96   4.547    189
   1812.04   4.535    191
   1808.62   4.526    115
   1807.98   4.524    116
   1803.28   4.513     99
   1246.63   3.120    161
   1241.72   3.108    165
   1232.74   3.085    221
   1227.83   3.073    214
   1162.87   2.910    238
   1153.68   2.887    237
   1148.98   2.875    185
   1139.79   2.852    175

in DMSO-d6