1676-75-1

N-Cbz-O-tert-butyl-L-serine(1676-75-1) IR2

Molecular FormulaC15H21NO5

Molecular Weight295.33

InChIInChI=1S/C15H21NO5/c1-15(2,3)21-10-12(13(17)18)16-14(19)20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1

InChIKey TXDGEONUWGOCJG-LBPRGKRZSA-N

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

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N-Cbz-O-tert-butyl-L-serine(1676-75-1) IR2
Mass

MS-IW-7348          
N-benzyloxycarbonyl-O-tert-butyl-L-serine
C15H21NO5           (Mass of molecular ion:    295)

   Source Temperature: 170 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       1.1
      17.0       1.1
      18.0       6.5
      27.0       3.1
      28.0       4.2
      29.0       8.1
      31.0       1.3
      39.0       7.0
      40.0       1.5
      41.0      22.9
      42.0       5.1
      43.0       3.4
      44.0       3.4
      50.0       2.4
      51.0       5.0
      52.0       1.4
      53.0       2.7
      55.0       3.7
      56.0       7.9
      57.0      82.2
      58.0       4.3
      59.0      17.8
      60.0       1.3
      63.0       1.4
      65.0       5.1
      70.0       1.4
      74.0       2.3
      77.0      12.8
      78.0       3.2
      79.0      28.0
      80.0       2.5
      86.0       4.4
      87.0       8.6
      89.0       2.9
      90.0       3.6
      91.0     100.0
      92.0      11.7
     100.0       1.4
     101.0       2.2
     104.0       1.0
     105.0       2.1
     107.0      33.2
     108.0      39.1
     109.0       3.1
     132.0       2.1
     148.0      22.0
     149.0       2.3
     150.0       1.2
     157.0       1.5
     172.0       5.9
     209.0      22.1
     210.0       2.5
     222.0       1.3
     238.0       1.8
     239.0       7.9
     240.0       1.5
     265.0       2.0

400 MHz in CDCl3

N-Cbz-O-tert-butyl-L-serine(1676-75-1) IR2

¹H NMR	399.65 MHz
C₁₅ H₂₁ N O₅	0.042 g : 0.5 ml CDCl₃
N-benzyloxycarbonyl-o-tert-butyl-L-serine

    Assign.     Shift(ppm)

      A            10.
      B             7.36
      C             7.33
      D             5.67
      E     *1      5.140
      F     *1      5.128
      G             4.498
      J     *2      3.882
      K     *2      3.592
      L             1.147

     Hz     ppm     Int.

   2945.25   7.370     87
   2942.35   7.363     72
   2940.06   7.357     84
   2934.72   7.344     26
   2931.82   7.336     31
   2930.91   7.334     32
   2928.16   7.327     24
   2926.64   7.324     24
   2052.92   5.137     66
   2050.32   5.131     61
    458.37   1.147   1000

in CDCl3