Boc-D-Ser(Bzl)-OH(47173-80-8) IR1

Molecular FormulaC15H21NO5

Molecular Weight295.33

InChIInChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1

InChIKey DMBKPDOAQVGTST-GFCCVEGCSA-N

SmilesC(O)(=O)[C@@H](COCC1=CC=CC=C1)NC(OC(C)(C)C)=O

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Mass

MS-IW-9269          
o-benzyl-N-tert-butoxycarbonyl-D-serine
C15H21NO5           (Mass of molecular ion:    295)

   Source Temperature: 170 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       1.1
      27.0       2.1
      28.0       3.9
      29.0       4.3
      31.0       4.2
      39.0       5.6
      40.0       1.1
      41.0      15.3
      42.0       2.2
      43.0      12.1
      44.0       8.6
      50.0       1.0
      51.0       2.3
      55.0       2.5
      56.0       5.2
      57.0      48.7
      58.0       2.4
      59.0      15.3
      63.0       1.2
      65.0       7.0
      73.0       1.1
      74.0       9.1
      77.0       2.7
      79.0       3.3
      87.0       3.1
      88.0       4.4
      89.0       6.2
      90.0       1.6
      91.0     100.0
      92.0      12.5
     105.0       1.8
     107.0       7.5
     108.0       2.6
     120.0       1.6
     121.0       2.8
     132.0       4.9
     133.0       4.6
     148.0      12.7
     149.0       1.4
     150.0       1.5
     194.0       2.9
     209.0       1.3
     238.0       1.0
     239.0       2.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₂₁ N O₅	0.042 g : 0.5 ml CDCl₃
O-benzyl-N-tert-butoxycarbonyl-D-serine

    Assign.     Shift(ppm)

      A            10.4
      B          7.33 to 7.27
      C             5.45
      D             4.530
      E             4.49
      F     *1      3.922
      G     *1      3.708
      J             1.447

     Hz     ppm     Int.

   2936.25   7.348     31
   2934.88   7.344     52
   2933.20   7.340     33
   2927.55   7.326    138
   2926.48   7.323    126
   2920.84   7.309    258
   2913.51   7.291    214
   2907.41   7.275    103
   2905.27   7.270    101
   2899.63   7.256     35
   2183.53   5.464     40
   2174.84   5.442     41
   1810.61   4.531    424
   1797.79   4.499     50
   1789.25   4.478     34
   1563.72   3.913     37
   1560.97   3.906     36
   1488.19   3.724     43
   1484.99   3.716     45
   1478.88   3.701     40
   1475.52   3.693     38
    578.31   1.448   1000

in CDCl3