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Back ChemicalBook Home>CAS DataBase List>20989-17-7More Spectrum> (S)-(+)-2-Phenylglycinol(20989-17-7) 13C NMR

(S)-(+)-2-Phenylglycinol(20989-17-7) 13C NMR

Molecular FormulaC8H11NO

Molecular Weight137.18

InChIInChI=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

SmilesC1(=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
    ChemicalStructure
        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



KBr disc



nujol mull



(S)-(+)-2-Phenylglycinol(20989-17-7) 13C NMR Atlas of Related Products

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