2650-64-8

N-苄氧羰基-L-谷氨酰胺(2650-64-8)Raman光谱

分子式:C13H16N2O5

分子量: 280.28

InChI:InChI=1S/C13H16N2O5/c14-11(16)7-6-10(12(17)18)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18)/t10-/m0/s1

InChIKey: JIMLDJNLXLMGLX-JTQLQIEISA-N

Smiles:C(O)(=O)[C@H](CCC(N)=O)NC(OCC1=CC=CC=C1)=O

Mass

MS-NW-2499          
N(alpha)-benzyloxycarbonyl-L-glutamime
C13H16N2O5          (Mass of molecular ion:    280)

   Source Temperature: 230 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      15.0       1.6
      16.0       2.1
      17.0       4.5
      18.0      22.6
      26.0       4.1
      27.0      12.8
      28.0      26.8
      29.0       5.6
      30.0       9.1
      31.0       2.5
      32.0       1.4
      37.0       2.1
      38.0       3.0
      39.0      13.9
      40.0       2.3
      41.0      12.6
      42.0       7.8
      43.0       7.5
      44.0      42.1
      45.0       4.0
      50.0       7.5
      51.0      16.6
      52.0       6.7
      53.0       4.9
      54.0       7.1
      55.0       9.4
      56.0      28.5
      57.0      14.2
      59.0      31.7
      60.0       1.1
      61.0       1.1
      62.0       1.9
      63.0       5.1
      64.0       1.7
      65.0      11.7
      66.0       1.3
      67.0       1.2
      69.0       3.4
      71.0       6.9
      72.0       6.4
      73.0       8.1
      74.0       2.6
      75.0       1.2
      76.0       1.3
      77.0      38.8
      78.0      10.4
      79.0      79.7
      80.0       8.2
      81.0       1.1
      82.0       2.9
      83.0      29.3
      84.0      30.8
      85.0       3.5
      86.0       1.1
      89.0       6.5
      90.0       8.9
      91.0      58.1
      92.0       6.3
      99.0       2.0
     100.0      12.1
     101.0       3.0
     105.0       3.8
     106.0       1.6
     107.0      57.5
     108.0     100.0
     109.0       7.4
     110.0       1.4
     111.0       3.7
     113.0       3.2
     126.0       2.0
     127.0       2.8
     128.0       3.8
     129.0       1.0
     130.0       2.1
     154.0       1.3
     155.0       2.8
     172.0       1.1
     173.0       1.2
     262.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₆ N₂ O₅	0.039 g : 0.5 ml DMSO-d₆
N(alpha)-benzyloxycarbonyl-L-glutamime

    Assign.     Shift(ppm)

      A             7.59
      B             7.36
      C             7.32
      D     *1      7.31
      E     *1      6.79
      F             5.03
      G             3.954
      J             2.158
      K     *2      1.969
      L     *2      1.743

     Hz     ppm     Int.

   3037.73   7.601    125
   3029.83   7.582    129
   2955.46   7.396     31
   2946.06   7.372    319
   2942.43   7.363   1000
   2937.30   7.350    142
   2932.39   7.338    120
   2929.82   7.331    116
   2928.33   7.328    120
   2923.63   7.316    185
   2922.34   7.313    180
   2919.57   7.306    139
   2714.86   6.794     97
   2012.69   5.037    404
   2011.62   5.034    445
   1591.52   3.983     43
   1586.82   3.971     52
   1582.33   3.960     69
   1578.70   3.951     64
   1577.84   3.949     62
   1574.42   3.940     49
   1569.51   3.928     39
    870.55   2.179    103
    863.07   2.160    219
    855.38   2.141    136
    797.04   1.995     36
    791.70   1.981     53
    786.14   1.968     38
    783.37   1.961     60
    778.45   1.948     48
    707.94   1.772     38
    700.03   1.752     49
    695.11   1.740     44
    692.55   1.733     41
    685.93   1.717     37

in DMSO-d6