1155-62-0

N-Cbz-L-glutamic acid(1155-62-0) Raman

Molecular FormulaC13H15NO6

Molecular Weight281.26

InChIInChI=1S/C13H15NO6/c15-11(16)7-6-10(12(17)18)14-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,15,16)(H,17,18)/t10-/m0/s1

InChIKey PVFCXMDXBIEMQG-JTQLQIEISA-N

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

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N-Cbz-L-glutamic acid(1155-62-0) Raman
Mass

MS-IW-8793          
N-benzyloxycarbonyl-L-glutamic acid
C13H15NO6           (Mass of molecular ion:    281)

   Source Temperature: 190 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      16.0       1.3
      17.0       3.2
      18.0      15.4
      26.0       4.3
      27.0      10.4
      28.0      35.6
      29.0       4.8
      30.0       1.7
      31.0       2.1
      36.0       2.3
      37.0       2.1
      38.0       4.1
      39.0      12.9
      40.0       3.0
      41.0      21.5
      42.0       6.7
      43.0       4.4
      44.0      65.0
      45.0       4.5
      50.0       8.0
      51.0      17.4
      52.0       6.3
      53.0       6.7
      53.5       1.8
      54.0       6.6
      55.0       9.8
      56.0      11.6
      57.0       1.6
      60.0       6.2
      61.0       1.4
      62.0       2.6
      63.0       5.9
      64.0       2.0
      65.0      12.5
      66.0       1.8
      67.0       2.6
      68.0       1.1
      69.0       1.5
      73.0       6.3
      74.0       7.8
      75.0       2.0
      76.0       1.7
      77.0      47.1
      78.0      12.1
      79.0      94.2
      80.0       9.1
      82.0       2.3
      83.0      13.4
      84.0      81.7
      85.0       5.7
      86.0       1.2
      89.0       8.4
      90.0      10.7
      91.0      50.1
      92.0      12.2
      93.0       1.0
      99.0       1.4
     101.0       2.4
     102.0       1.2
     105.0       7.4
     106.0       4.4
     107.0      78.3
     108.0     100.0
     109.0       8.0
     111.0       4.4
     127.0       4.1
     128.0       1.1
     129.0       3.1
     130.0       2.6
     155.0       8.1

400 MHz in DMSO-d6

N-Cbz-L-glutamic acid(1155-62-0) Raman

¹H NMR	399.65 MHz
C₁₃ H₁₅ N O₆	0.033 g : 0.5 ml DMSO-d₆
N-benzyloxycarbonyl-L-glutamic acid

    Assign.     Shift(ppm)

      A            12.4
      B             7.61
      C          7.31 to 7.38
      D             5.038
      E             4.006
      F             2.308
      G     *1      1.971
      J     *1      1.766
     
     J(B,E)=8.2HZ

     Hz     ppm     Int.

   3044.23   7.618    116
   3035.98   7.597    121
   2955.21   7.395     30
   2947.33   7.375    230
   2945.87   7.372    295
   2942.20   7.362   1000
   2937.44   7.351    126
   2934.88   7.344     52
   2932.50   7.338    109
   2930.11   7.332     92
   2928.47   7.328     87
   2924.07   7.317     99
   2922.42   7.313     83
   2919.49   7.306     56
   2919.12   7.305     56
   2915.64   7.296     35
   2013.73   5.039    613
   1612.23   4.035     37
   1607.29   4.022     47
   1603.99   4.014     56
   1602.89   4.011     63
   1599.41   4.003     58
   1599.04   4.002     58
   1598.13   3.999     56
   1594.83   3.991     47
   1589.70   3.978     37
    932.32   2.333     68
    929.94   2.327     43
    927.37   2.321     77
    924.62   2.314    127
    921.51   2.306     96
    919.50   2.301     92
    916.75   2.294     81
    913.27   2.286     71
    799.34   2.001     31
    793.84   1.987     47
    788.17   1.973     34
    785.42   1.966     50
    780.47   1.953     42
    778.27   1.948     30
    777.91   1.947     30
    715.27   1.790     34
    714.90   1.789     34
    709.77   1.776     43
    708.85   1.774     44
    707.39   1.771     34
    706.66   1.769     35
    704.46   1.763     35
    700.61   1.754     42
    694.93   1.739     30

in DMSO-d6