23680-31-1

N-BOC-O-苄基-L-丝氨酸(23680-31-1)红外图谱(IR1)

分子式:C15H21NO5

分子量: 295.33

InChI:InChI=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-/m0/s1

InChIKey: DMBKPDOAQVGTST-LBPRGKRZSA-N

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

Mass

MS-IW-6139          
o-benzyl-N-tert-butoxycarbonyl-L-serine
C15H21NO5           (Mass of molecular ion:    295)

   Source Temperature: 150 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       1.8
      27.0       1.3
      28.0       1.8
      29.0       3.3
      31.0       2.3
      39.0       3.8
      41.0      10.6
      42.0       1.7
      43.0       8.0
      44.0       4.1
      51.0       1.7
      55.0       1.7
      56.0       3.5
      57.0      50.2
      58.0       2.5
      59.0      10.3
      63.0       1.0
      65.0       6.1
      74.0       8.7
      77.0       2.6
      79.0       2.9
      87.0       3.5
      88.0       5.5
      89.0       6.6
      90.0       1.6
      91.0     100.0
      92.0      13.5
     105.0       1.9
     107.0       7.8
     108.0       2.7
     120.0       1.8
     121.0       3.1
     132.0       7.4
     133.0       7.3
     143.0       1.1
     148.0      20.5
     149.0       2.2
     150.0       2.3
     194.0       5.3
     209.0       2.7
     221.0       1.2
     222.0       1.3
     238.0       2.6
     239.0       5.7
     263.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₂₁ N O₅	0.040 g : 0.5 ml CDCl₃
O-benzyl-N-tert-butoxycarbonyl-L-serine

    Assign.     Shift(ppm)

      A            10.16
      B          7.33 to 7.31
      C             5.44
      D             4.533
      E     *1      4.48
      F             3.92
      G     *1      3.709
      J             1.447

     Hz     ppm     Int.

   2935.64   7.346     53
   2933.96   7.342     38
   2928.47   7.328    135
   2924.65   7.319     69
   2921.60   7.311    242
   2914.28   7.293    229
   2906.34   7.273    114
   2179.72   5.455     37
   2171.17   5.433     37
   1811.68   4.534    420
   1796.57   4.496     37
   1792.91   4.487     32
   1788.18   4.475     33
   1571.04   3.932     30
   1564.48   3.915     36
   1561.58   3.908     35
   1488.34   3.725     42
   1484.99   3.716     46
   1478.88   3.701     40
   1475.68   3.693     37
    578.46   1.448   1000

in CDCl3