N-Carbobenzyloxy-D-asparagine(4474-86-6) ¹³C NMR

Product NameN-Carbobenzyloxy-D-asparagine

Molecular FormulaC12H14N2O5

Molecular Weight266.25

InChIInChI=1S/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)/t9-/m1/s1

InChIKey FUCKRCGERFLLHP-SECBINFHSA-N

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

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-1952          
N-benzyloxycarbonyl-D-asparagine
C12H14N2O5          (Mass of molecular ion:    266)

   Source Temperature: 210 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      15.0       2.7
      16.0       5.8
      17.0       8.7
      18.0       2.4
      26.0       1.4
      27.0       3.3
      28.0       5.4
      29.0       1.0
      38.0       1.0
      39.0       5.8
      40.0       1.6
      41.0       4.6
      42.0       3.7
      43.0       5.8
      44.0       5.6
      50.0       2.1
      51.0       5.4
      52.0       1.8
      55.0       1.3
      63.0       2.7
      65.0      11.6
      69.0       3.0
      70.0       3.7
      72.0       1.1
      77.0       8.6
      78.0       2.0
      79.0      17.2
      80.0       1.7
      86.0       1.8
      87.0       1.2
      89.0       3.9
      90.0       8.1
      91.0     100.0
      92.0      10.4
     100.0       1.8
     105.0       1.7
     107.0      50.3
     108.0      34.3
     109.0       2.6
     112.0       1.0
     113.0       2.2
     114.0       1.3
     249.0      10.9
     250.0       1.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₄ N₂ O₅	0.032 g : 0.5 ml DMSO-d₆
N-benzyloxycarbonyl-D-asparagine

    Assign.     Shift(ppm)

      A            13.
      B             7.48
      C     *1      7.40
      D             7.34
      E     *1      6.95
      F             5.032
      G             4.354
      J     *2      2.562
      K     *2      2.459

     Hz     ppm     Int.

   2992.65   7.489    129
   2984.31   7.468    133
   2953.97   7.392     56
   2946.49   7.373    302
   2945.42   7.371    289
   2944.14   7.367    313
   2940.93   7.359   1000
   2937.51   7.351    178
   2935.81   7.346    153
   2932.39   7.338    134
   2930.04   7.332    109
   2928.33   7.328    100
   2925.12   7.320     77
   2923.84   7.317     86
   2919.14   7.305     45
   2918.71   7.304     45
   2777.89   6.951    102
   2011.41   5.033    581
   1750.93   4.382     42
   1745.59   4.368     51
   1743.02   4.362     82
   1737.47   4.348     80
   1734.90   4.342     56
   1729.56   4.328     42
   1036.80   2.595     49
   1031.45   2.581     58
   1021.20   2.556    101
   1016.07   2.543     96
    992.35   2.484    105
    984.44   2.464    106
    976.96   2.445     62
    969.06   2.425     58

in DMSO-d6