30924-93-7

N-叔丁氧羰基-L-谷氨酸 1-芐酯(30924-93-7)核磁圖(¹³CNMR)

分子式:C17H23NO6

分子量: 337.37

InChI:InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(9-10-14(19)20)15(21)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1

InChIKey: CVZUKWBYQQYBTF-ZDUSSCGKSA-N

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

Mass

MS-IW-9262          
N-tert-butoxycarbonyl-L-glutamic acid 1-benzyl ester
C17H23NO6           (Mass of molecular ion:    337)

   Source Temperature: 160 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.0
      18.0       5.6
      27.0       4.8
      28.0      12.3
      29.0       9.3
      30.0       1.0
      31.0       2.9
      36.0       2.6
      38.0       1.9
      39.0      12.5
      40.0       2.6
      41.0      46.1
      42.0       2.8
      43.0       2.4
      44.0      25.4
      45.0       1.0
      50.0       2.0
      51.0       3.8
      52.0       1.3
      53.0       2.0
      54.0       1.7
      55.0       8.2
      56.0      20.9
      57.0     100.0
      58.0       4.7
      59.0      11.3
      63.0       1.9
      65.0       9.7
      77.0       3.9
      78.0       1.0
      79.0       3.4
      82.0       1.7
      83.0       1.6
      84.0      83.1
      85.0       7.2
      89.0       2.6
      90.0       2.0
      91.0      84.3
      92.0       9.4
     102.0      75.8
     103.0       4.2
     105.0       1.2
     107.0       4.8
     108.0       3.5
     128.0       1.1
     146.0      29.7
     147.0       1.9
     202.0      22.4
     203.0       2.4
     281.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₂₃ N O₆	0.038 g : 0.5 ml CDCl₃
N-tert-butoxycarbonyl-L-glutamic acid 1-benzyl ester

    Assign.     Shift(ppm)

      A             7.35
      B             5.21
      C             5.168
      D             4.40
      E             2.42
      F     *1      2.20
      G     *1      1.958
      J             1.43

     Hz     ppm     Int.

   2950.29   7.383     45
   2948.61   7.378     43
   2942.66   7.364    151
   2941.13   7.360    211
   2937.62   7.351   1000
   2926.94   7.324     98
   2921.91   7.312     38
   2085.88   5.220     45
   2077.64   5.199     63
   2065.89   5.170    385
   2064.82   5.167    380
    979.92   2.452     63
    972.44   2.434    120
    969.54   2.426     82
    962.98   2.410    122
    955.05   2.390     76
    880.43   2.204     34
    872.50   2.184     38
    867.61   2.171     34
    789.34   1.976     35
    782.93   1.960     40
    775.30   1.940     34
    569.76   1.426    972

in CDCl3