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2627-86-3

S(-)-α-苯乙胺(2627-86-3)質(zhì)譜(MS)

產(chǎn)品名稱:S(-)-α-苯乙胺

CAS:2627-86-3

分子式:C8H11N

分子量: 121.18

InChI:InChI=1/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/s3

InChIKey: RQEUFEKYXDPUSK-KPOCXSGKNA-N

Smiles:[C@H](C1C=CC=CC=1)(N)C |&1:0,r|

  • 圖譜
    Mass 

    MS-NW-1486          
L-(-)-alpha-methylbenzylamine
C8H11N              (Mass of molecular ion:    121)


       Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV


          15.0       1.3
      18.0       2.2
      27.0       2.2
      28.0      14.2
      39.0       3.3
      41.0       1.1
      42.0      12.2
      43.0       6.9
      44.0      16.7
      50.0       3.6
      51.0       8.5
      52.0       2.8
      53.0       6.2
      63.0       1.6
      65.0       1.3
      74.0       1.2
      76.0       1.1
      77.0      14.0
      78.0       5.3
      79.0      24.3
      80.0       1.8
      91.0       1.3
     103.0       3.0
     104.0       5.8
     105.0       3.8
     106.0     100.0
     107.0       7.9
     120.0       6.1
     121.0       1.1

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C8 H11 N 0.04 ml : 0.5 ml CDCl3
    L-(-)-alpha-methylbenzylamine
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A          7.48 to 7.04
      B             4.06
      C             1.56
      D             1.356
  

         Hz     ppm     Int.


        658.50   7.353    114
    656.13   7.327    210
    652.69   7.288    786
    651.50   7.275    232
    650.13   7.260    230
    649.13   7.248     97
    648.69   7.244    102
    647.69   7.232    168
    646.56   7.220     98
    644.75   7.200     57
    644.13   7.193     40
    641.69   7.165     51
    374.69   4.184     35
    368.00   4.109    108
    361.44   4.036    116
    354.88   3.963     42
    139.56   1.559    244
    124.81   1.394   1000
    118.19   1.320    946

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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