DL-BETA-PHENYLSERINE THREO FORM(69-96-5) ¹³C NMR

Mass

MS-NW-6860          
DL-2-amino-3-hydroxy-3-phenylpropionic acid
C9H11NO3 (H2O)      (Mass of molecular ion:    181)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      17.0       1.3
      18.0       6.1
      27.0       4.3
      28.0      18.6
      29.0      15.2
      30.0      21.5
      37.0       1.2
      38.0       2.0
      39.0       6.3
      41.0       1.2
      42.0       1.0
      44.0       6.0
      45.0       1.6
      46.0       1.5
      49.0       1.0
      50.0       9.2
      51.0      20.5
      52.0       5.8
      53.0       2.5
      57.0      39.2
      58.0       1.5
      59.0       1.1
      62.0       1.3
      63.0       3.2
      65.0       3.9
      74.0       4.5
      75.0     100.0
      76.0       5.0
      77.0      50.2
      78.0       9.9
      79.0      43.9
      80.0       3.0
      89.0       2.5
      90.0       2.1
      91.0      15.6
      92.0       2.4
     103.0       1.0
     104.0       1.7
     105.0      25.5
     106.0      24.0
     107.0      28.0
     108.0       2.5
     117.0       3.6
     118.0      10.9
     119.0       7.9
     120.0       1.4
     136.0       2.3
     163.0       1.1

Assign. Shift(ppm) A 7.69 to 7.04 B 5.07 C 5.0 D 3.44

     Hz     ppm     Int.

    670.32   7.485    118
    669.11   7.472    149
    668.78   7.468    152
    668.23   7.462    167
    663.28   7.406    418
    662.62   7.399    446
    658.56   7.354   1000
    656.25   7.328    931
    652.40   7.285    446
    651.96   7.280    458
    651.30   7.273    458
    650.86   7.268    455
    648.22   7.238    309
    644.93   7.202    149
    644.27   7.194    125
    456.52   5.098    489
    452.56   5.054    515
    446.51   4.986    311
    309.99   3.462    208
    306.14   3.419    202