Boc-Thr(Bzl)-OH(15260-10-3) IR1

Molecular FormulaC16H23NO5

Molecular Weight309.36

InChIInChI=1S/C16H23NO5/c1-11(21-10-12-8-6-5-7-9-12)13(14(18)19)17-15(20)22-16(2,3)4/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19)/t11-,13+/m1/s1

InChIKey CTXPLTPDOISPTE-YPMHNXCESA-N

SmilesC(O)(=O)[C@H]([C@H](OCC1=CC=CC=C1)C)NC(OC(C)(C)C)=O

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Mass

MS-IW-5816          
o-benzyl-N-tert-butoxycarbonyl-L-threonine
C16H23NO5           (Mass of molecular ion:    309)

   Source Temperature: 170 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.3
      18.0       7.0
      27.0       1.4
      28.0       3.2
      29.0       2.8
      31.0       1.9
      39.0       4.2
      41.0      11.8
      43.0       1.9
      44.0       7.7
      51.0       1.4
      55.0       2.5
      56.0       6.7
      57.0      44.1
      58.0       2.1
      59.0       7.5
      65.0       5.7
      74.0      10.9
      77.0       1.8
      79.0       2.1
      89.0       1.4
      90.0       1.2
      91.0     100.0
      92.0      13.4
     101.0       4.3
     102.0       1.4
     103.0       2.5
     107.0       4.7
     108.0       1.5
     120.0       1.8
     135.0      10.1
     136.0       1.0
     146.0       1.5
     147.0       2.9
     148.0      19.2
     149.0       2.1
     164.0       2.0
     174.0       1.0
     209.0       5.6
     236.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₂₃ N O₅	0.042 g : 0.5 ml CDCl₃
O-benzyl-N-tert-butoxycarbonyl-L-threonine

    Assign.     Shift(ppm)

      A            10.6
      B             7.29
      C             7.26
      D             5.34
      E     *1      4.561
      F     *1      4.418
      G             4.374
      J             4.178
      K             1.455
      L             1.257

     Hz     ppm     Int.

   2914.58   7.293     82
   2909.09   7.280    140
   2900.70   7.259    170
   2895.36   7.245     66
   2893.68   7.241     67
   2139.28   5.353     33
   2129.82   5.330     35
   1829.99   4.579     73
   1818.24   4.550    104
   1770.78   4.431     70
   1759.19   4.402     50
   1753.85   4.389     32
   1751.71   4.384     32
   1744.54   4.366     32
   1742.25   4.360     31
    581.67   1.456   1000
    505.83   1.266    189
    499.42   1.250    182

in CDCl3