3483-82-7

N-苯甲酰-L-酪氨酸乙酯(3483-82-7)质谱(MS)

分子式:C18H19NO4

分子量: 313.35

InChI:InChI=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

Smiles:C(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

    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