63-91-2

L-苯丙氨酸(63-91-2)紅外圖譜(IR1)

產品名稱:L-苯丙氨酸

CAS:63-91-2

分子式:C9H11NO2

分子量: 165.19

InChI:InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1

InChIKey: COLNVLDHVKWLRT-QMMMGPOBSA-N

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

Mass

MS-NW-8157          
L-phenylalanine
C9H11NO2            (Mass of molecular ion:    165)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       5.8
      27.0       1.0
      28.0      10.7
      29.0       1.0
      30.0       2.6
      39.0       3.9
      41.0       1.6
      42.0       2.8
      43.0       1.8
      46.0       5.0
      50.0       1.3
      51.0       3.6
      58.5       1.3
      59.5       1.7
      60.0       3.0
      63.0       2.1
      65.0       8.6
      74.0     100.0
      75.0       3.0
      77.0       5.5
      78.0       1.3
      89.0       1.7
      90.0       1.2
      91.0      44.4
      92.0      16.3
      93.0       3.1
     103.0       7.2
     104.0       2.4
     117.0       1.2
     118.0       3.2
     119.0       3.0
     120.0      56.2
     121.0       5.3
     165.0       2.1

400 MHz in D2O

¹H NMR	399.65 MHz
C₉ H₁₁ N O₂	saturated in D₂O
L-phenylalanine

    Assign.     Shift(ppm)

      A             7.428
      B             7.383
      C             7.333
      D             3.990
      E     *1      3.286
      F     *1      3.126
     
     THE SOLVENT PEAK SUPPRESSED.

     Hz     ppm     Int.

   2979.49   7.456    198
   2977.91   7.452    330
   2976.20   7.448    192
   2973.14   7.440    232
   2970.95   7.434    890
   2969.48   7.431    637
   2965.09   7.420    384
   2963.75   7.416    902
   2963.01   7.415    789
   2957.52   7.401    235
   2956.05   7.397    495
   2954.47   7.393    395
   2951.42   7.386    159
   2948.85   7.379    505
   2945.68   7.371    134
   2942.99   7.364    118
   2941.53   7.361    166
   2940.19   7.357    120
   2934.57   7.343    778
   2932.98   7.339   1000
   2926.27   7.323    655
   1601.44   4.008    426
   1596.31   3.995    501
   1593.51   3.988    540
   1588.26   3.975    459
   1324.95   3.316    233
   1319.70   3.303    233
   1315.19   3.291     30
   1310.55   3.280    358
   1305.30   3.267    339
   1259.16   3.151    383
   1251.10   3.131    369
   1244.63   3.115    259
   1239.62   3.102     31
   1238.89   3.100     36
   1236.57   3.095    241

in D2O