Boc-L-酪氨酸甲酯(4326-36-7)核磁圖(¹HNMR)

分子式:C15H21NO5

分子量: 295.33

InChI:InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,16,19)/t12-/m0/s1

InChIKey: NQIFXJSLCUJHBB-LBPRGKRZSA-N

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

Mass

MS-KW-0518          
N-(tert-butoxycarbonyl)-L-tyrosine methyl ester
C15H21NO5           (Mass of molecular ion:    295)

   Source Temperature: 200 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       1.2
      27.0       2.1
      28.0       3.5
      29.0       3.6
      31.0       1.8
      33.0       1.8
      39.0       5.0
      40.0       1.0
      41.0      12.7
      42.0       1.2
      43.0       1.3
      44.0       7.7
      51.0       1.6
      53.0       1.8
      55.0       3.0
      56.0       5.8
      57.0      24.9
      58.0       1.2
      59.0       8.1
      65.0       1.1
      68.0       1.2
      74.0       1.1
      77.0       5.0
      78.0       1.3
      79.0       1.2
      88.0      12.4
      89.0       2.8
      91.0       3.2
     101.0       1.2
     107.0     100.0
     108.0      19.0
     109.0       1.5
     119.0       1.4
     133.0       2.0
     134.0       1.0
     135.0       1.6
     136.0       8.0
     137.0       1.3
     144.0       1.0
     147.0       2.8
     162.0       2.1
     178.0      38.5
     179.0       5.0
     180.0       2.2
     194.0       1.3
     195.0       3.0
     221.0       1.7
     222.0       3.4
     239.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅H₂₁NO₅	0.040 g : 0.5 ml CDCl₃
N-(tert-butoxycarbonyl)-L-tyrosine methyl ester

    Assign.     Shift(ppm)

     A           6.949
     B           6.735
     C           5.08
     C           4.89
     D           4.536
     D           4.35
     E           3.702
     F           3.99
     G           1.420

     Hz     ppm     Int.

   2782.35   6.960    134
   2773.93   6.939    156
   2695.68   6.743    107
   2687.75   6.724     83
   2034.43   5.089     29
   2026.37   5.069     30
   1956.91   4.895      7
   1817.02   4.546     27
   1808.84   4.525     25
   1740.36   4.354      6
   1479.99   3.702    292
   1218.14   3.048     17
   1212.16   3.033     20
   1204.11   3.012     43
   1198.37   2.998     46
   1191.90   2.982     33
   1185.67   2.966     30
   1172.00   2.932     13
    630.01   1.576      8
    567.63   1.420   1000
    503.42   1.260      9

in CDCl3