1499-55-4

L-谷氨酸-5-甲酯(1499-55-4)红外图谱(IR2)

产品名称:L-谷氨酸-5-甲酯

CAS:1499-55-4

分子式:C6H11NO4

分子量: 161.16

InChI:InChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1

InChIKey: ZGEYCCHDTIDZAE-BYPYZUCNSA-N

Smiles:C(O)(=O)[C@H](CCC(OC)=O)N

Mass

MS2007-03649WA      
5-methyl L-glutamate
C6H11NO4            (Mass of molecular ion:    161)

   Source Temperature: 240 °C
   Sample Temperature:  25 °C
   Direct, 70 eV
   comment:

      15.0       4.9
      18.0       3.9
      27.0       3.8
      28.0      22.8
      28.5       1.4
      29.0       5.4
      30.0       6.2
      31.0       3.1
      32.0       1.5
      39.0       2.4
      41.0      25.0
      42.0       6.4
      42.5       1.5
      43.0       6.8
      44.0       2.6
      45.0       3.4
      46.0       2.8
      54.0       3.0
      55.0       5.4
      56.0      44.7
      57.0       6.8
      59.0       3.1
      70.0       1.5
      71.0       1.3
      74.0      19.1
      75.0       1.6
      82.0       1.1
      83.0       1.9
      84.0     100.0
      85.0       5.6
      87.0       6.2
      88.0       3.2
      98.0       4.7
      99.0       1.1
     100.0       6.7
     101.0       5.6
     102.0       3.2
     115.0       3.6
     116.0      70.3
     117.0       4.3
     129.0       2.7
     130.0      11.0
     143.0       5.7
     162.0       1.3

400 MHz in D2O

¹H NMR	399.65 MHz
C₆ H₁₁ N O₄	0.039 g : 0.5 ml D₂O
5-methyl L-glutamate

    Assign.     Shift(ppm)

      A             3.776
      B             3.714
      C             2.58
      D             2.16
     
     SOLVENT PEAK REMOVED

     Hz     ppm     Int.

   1515.63   3.793     87
   1509.16   3.777    177
   1502.69   3.761     91
   1484.25   3.714   1000
   1039.92   2.603     66
   1036.01   2.593     68
   1032.35   2.584    113
   1030.27   2.578     53
   1028.56   2.574    133
   1024.41   2.564     79
   1021.24   2.556     78
    876.83   2.194     51
    872.44   2.184     51
    870.61   2.179     71
    869.75   2.177     72
    869.02   2.175     66
    865.60   2.166     84
    864.14   2.163     81
    863.53   2.161     82
    862.67   2.159     77
    859.01   2.150     53
    857.54   2.146     78
    855.71   2.142     47
    850.59   2.129     46

in D2O