3978-80-1

N-叔丁氧羰基-L-酪氨酸(3978-80-1)质谱(MS)

分子式:C14H19NO5

分子量: 281.3

InChI:InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-4-6-10(16)7-5-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1

InChIKey: CNBUSIJNWNXLQQ-NSHDSACASA-N

Smiles:C(O)(=O)[C@H](CC1=CC=C(O)C=C1)NC(OC(C)(C)C)=O

Mass

MS-IW-6143          
N-tert-butoxycarbonyl-L-tyrosine
C14H19NO5           (Mass of molecular ion:    281)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       2.8
      27.0       1.9
      28.0       3.0
      29.0       3.2
      31.0       1.8
      39.0       5.3
      40.0       1.2
      41.0      17.8
      43.0       1.2
      44.0      18.1
      51.0       1.2
      53.0       1.5
      55.0       4.3
      56.0      10.3
      57.0      16.1
      59.0       9.5
      74.0       1.4
      77.0       3.5
      91.0       1.2
     107.0     100.0
     108.0       9.8
     119.0       1.3
     136.0       3.3
     164.0      17.4
     165.0       1.9
     180.0       2.7
     207.0       1.6
     208.0       2.6
     220.0       3.1
     225.0       8.8
     226.0       1.2
     281.0       1.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₄ H₁₉ N O₅	0.042 g : 0.5 ml DMSO-d₆
N-tert-butoxycarbonyl-L-tyrosine

    Assign.     Shift(ppm)

      A            12.5
      B             9.2
      C             7.029
      D             7.00
      E             6.663
      F             4.007
      G     *1      2.887
      J     *1      2.712
      K             1.332

     Hz     ppm     Int.

   2813.62   7.041    120
   2805.19   7.020    129
   2797.14   6.999     58
   2788.89   6.979     58
   2666.90   6.674    153
   2658.48   6.653    139
   1603.99   4.014     27
   1600.69   4.006     26
   1599.59   4.003     25
   1595.56   3.993     21
   1164.39   2.914     23
   1159.81   2.903     25
   1150.65   2.880     36
   1146.07   2.868     34
   1094.97   2.740     31
   1084.90   2.715     33
   1081.23   2.706     27
   1070.97   2.680     24
    532.46   1.333   1000
    511.03   1.279     82

in DMSO-d6