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Back ChemicalBook Home>CAS DataBase List>3483-82-7More Spectrum> Ethyl N-benzoyl-L-tyrosinate(3483-82-7) MS

Ethyl N-benzoyl-L-tyrosinate(3483-82-7) MS

Molecular FormulaC18H19NO4

Molecular Weight313.35

InChIInChI=1S/C18H19NO4/c1-2-23-18(22)16(12-13-8-10-15(20)11-9-13)19-17(21)14-6-4-3-5-7-14/h3-11,16,20H,2,12H2,1H3,(H,19,21)/t16-/m0/s1

InChIKey SRLROPAFMUDDRC-INIZCTEOSA-N

SmilesC(OCC)(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)C1=CC=CC=C1


  • Mass

    MS-IW-2326          
    N-benzoyl-L-tyrosine ethyl ester
    C18H19NO4           (Mass of molecular ion:    313)
    

       Source Temperature: 140 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          27.0       1.3
          28.0       1.9
          29.0       1.5
          31.0       1.2
          39.0       1.2
          44.0       1.0
          50.0       1.3
          51.0       6.2
          52.0       1.0
          53.0       1.0
          76.0       1.9
          77.0      43.1
          78.0       4.5
          79.0       2.2
          91.0       1.5
         104.0       1.1
         105.0     100.0
         106.0       9.0
         107.0      46.9
         108.0       5.0
         118.0       1.0
         119.0       1.3
         120.0      10.6
         121.0       1.3
         122.0      34.3
         123.0       2.9
         133.0       2.5
         147.0      13.7
         148.0       2.1
         161.0       7.3
         162.0       1.0
         164.0       5.1
         177.0       1.8
         192.0      90.6
         193.0      11.2
         194.0       1.2
         207.0       2.2
         239.0       1.3
         240.0       5.2
         268.0       2.0
         313.0       5.5
         314.0       1.1
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C18 H19 N O4 0.042 g : 0.5 ml CDCl3
    N-benzoyl-L-tyrosine ethyl ester
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.71 B 7.54 C 7.39 D 6.96 E 6.73 F *1 6.71 G *1 6.18 J 5.035 K 4.205 L *2 3.19 M *2 3.13 N 1.271 CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        696.13   7.773    134
        694.38   7.754    166
        692.63   7.734     86
        691.69   7.724     80
        691.00   7.716     71
        688.88   7.692    162
        686.56   7.666    258
        672.81   7.513     63
        671.69   7.500     84
        669.44   7.475     70
        668.31   7.463    179
        667.06   7.449    360
        663.81   7.412    145
        661.44   7.386     91
        660.56   7.376    125
        659.69   7.366    161
        629.00   7.024    185
        627.00   7.001     68
        626.88   7.000     68
        622.56   6.952     87
        622.13   6.947     78
        620.38   6.927    391
        618.19   6.903     66
        617.75   6.898     66
        608.13   6.791     71
        607.63   6.785     63
        605.81   6.765    504
        603.75   6.742    146
        599.31   6.692     95
        597.13   6.668    278
        454.13   5.071    107
        448.38   5.007     52
        446.31   4.984     96
        387.69   4.329    105
        380.44   4.248    365
        373.25   4.168    387
        366.19   4.089    125
        285.63   3.190    173
        285.13   3.184    174
        279.44   3.121    164
        120.88   1.350    425
        113.81   1.271   1000
        106.63   1.191    384
    

in CDCl3



KBr disc





Ethyl N-benzoyl-L-tyrosinate(3483-82-7) MS Atlas of Related Products

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