L-苯甘氨醇(20989-17-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:L-苯甘氨醇

CAS:20989-17-7

分子式:C8H11NO

分子量: 137.18

InChI:InChI=1/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/s3

InChIKey: IJXJGQCXFSSHNL-SBYBRXNCNA-N

Smiles:C1(=CC=CC=C1)[C@H](N)CO |&1:6,r|

Mass

MS-IW-9288          
(S)-(+)-2-amino-2-phenylethanol
C8H11NO             (Mass of molecular ion:    137)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.1
      28.0      21.8
      29.0       1.1
      31.0       1.4
      39.0       2.5
      42.0       1.2
      50.0       2.1
      51.0       5.5
      52.0       1.9
      53.0       1.9
      63.0       1.2
      65.0       1.6
      77.0      14.6
      78.0       3.1
      79.0      33.7
      80.0       2.3
      91.0       3.7
     104.0       4.6
     105.0       1.2
     106.0     100.0
     107.0       8.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₁ N O	0.037 g : 0.5 ml CDCl₃
(S)-(+)-2-amino-2-phenylethanol

    Assign.     Shift(ppm)

      A             7.32
      B             7.30
      C             7.25
      D             4.011
      E     *1      3.697
      F     *1      3.531
      G             2.68

     Hz     ppm     Int.

   2937.62   7.351     83
   2936.40   7.348    123
   2934.81   7.344     66
   2930.79   7.334    200
   2929.08   7.330    399
   2928.10   7.327    349
   2925.17   7.320    137
   2922.36   7.313   1000
   2919.92   7.307    774
   2916.50   7.298     97
   2915.16   7.295    136
   2913.70   7.291    201
   2911.50   7.286     85
   2907.84   7.276    166
   2906.13   7.272    151
   2905.27   7.270    123
   2903.20   7.265     94
   2902.10   7.262    113
   2900.27   7.258    176
   2899.29   7.255    223
   2896.00   7.247     64
   2895.14   7.245     63
   2892.82   7.239     87
   2890.75   7.234     47
   1609.50   4.028    117
   1605.22   4.017    132
   1601.20   4.007    137
   1596.92   3.996    134
   1485.84   3.718     92
   1481.69   3.708     93
   1474.98   3.691    130
   1470.83   3.681    119
   1419.92   3.553    234
   1411.62   3.533    227
   1409.06   3.526    189
   1400.76   3.505    166
   1072.39   2.684    109

in CDCl3